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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 00:47:05 UTC
Update Date2022-03-07 02:56:10 UTC
HMDB IDHMDB0039357
Secondary Accession Numbers
  • HMDB39357
Metabolite Identification
Common NameDihydroprudomenin
DescriptionDihydroprudomenin belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Dihydroprudomenin has been detected, but not quantified in, fruits and herbs and spices. This could make dihydroprudomenin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Dihydroprudomenin.
Structure
Data?1563863360
SynonymsNot Available
Chemical FormulaC23H26O12
Average Molecular Weight494.4453
Monoisotopic Molecular Weight494.142426296
IUPAC Name3,5-dihydroxy-8-methoxy-2-(4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
Traditional Name3,5-dihydroxy-8-methoxy-2-(4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
CAS Registry Number24512-61-6
SMILES
COC1=CC=C(C=C1)C1OC2=C(C(O)=CC(OC3OC(CO)C(O)C(O)C3O)=C2OC)C(=O)C1O
InChI Identifier
InChI=1S/C23H26O12/c1-31-10-5-3-9(4-6-10)20-18(29)16(27)14-11(25)7-12(21(32-2)22(14)35-20)33-23-19(30)17(28)15(26)13(8-24)34-23/h3-7,13,15,17-20,23-26,28-30H,8H2,1-2H3
InChI KeyMUNCRDHDUBYFAO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid-7-O-glycosides
Alternative Parents
Substituents
  • Flavonoid-7-o-glycoside
  • 4p-methoxyflavonoid-skeleton
  • 8-methoxyflavonoid-skeleton
  • 3-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • Flavanone
  • Flavanonol
  • Hydroxyflavonoid
  • Flavan
  • Phenolic glycoside
  • Hexose monosaccharide
  • Chromone
  • Glycosyl compound
  • O-glycosyl compound
  • Chromane
  • Benzopyran
  • 1-benzopyran
  • Anisole
  • Phenol ether
  • Phenoxy compound
  • Methoxybenzene
  • Aryl alkyl ketone
  • Aryl ketone
  • Alkyl aryl ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Benzenoid
  • Monosaccharide
  • Monocyclic benzene moiety
  • Oxane
  • Vinylogous acid
  • Ketone
  • Secondary alcohol
  • Organoheterocyclic compound
  • Acetal
  • Polyol
  • Oxacycle
  • Ether
  • Organic oxygen compound
  • Alcohol
  • Primary alcohol
  • Organic oxide
  • Organooxygen compound
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.11 g/LALOGPS
logP-0.04ALOGPS
logP-0.16ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)10.21ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area184.6 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity115.72 m³·mol⁻¹ChemAxon
Polarizability48.56 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+215.30931661259
DarkChem[M-H]-207.37831661259
DeepCCS[M+H]+209.68330932474
DeepCCS[M-H]-207.32630932474
DeepCCS[M-2H]-240.5230932474
DeepCCS[M+Na]+215.77730932474
AllCCS[M+H]+214.732859911
AllCCS[M+H-H2O]+212.732859911
AllCCS[M+NH4]+216.632859911
AllCCS[M+Na]+217.132859911
AllCCS[M-H]-210.332859911
AllCCS[M+Na-2H]-211.532859911
AllCCS[M+HCOO]-212.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
DihydroprudomeninCOC1=CC=C(C=C1)C1OC2=C(C(O)=CC(OC3OC(CO)C(O)C(O)C3O)=C2OC)C(=O)C1O4643.0Standard polar33892256
DihydroprudomeninCOC1=CC=C(C=C1)C1OC2=C(C(O)=CC(OC3OC(CO)C(O)C(O)C3O)=C2OC)C(=O)C1O4135.8Standard non polar33892256
DihydroprudomeninCOC1=CC=C(C=C1)C1OC2=C(C(O)=CC(OC3OC(CO)C(O)C(O)C3O)=C2OC)C(=O)C1O4362.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Dihydroprudomenin,1TMS,isomer #1COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C14280.8Semi standard non polar33892256
Dihydroprudomenin,1TMS,isomer #2COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=CC(O)=C3C(=O)C2O)C=C14260.3Semi standard non polar33892256
Dihydroprudomenin,1TMS,isomer #3COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C(=O)C2O)C=C14221.7Semi standard non polar33892256
Dihydroprudomenin,1TMS,isomer #4COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C(=O)C2O)C=C14216.4Semi standard non polar33892256
Dihydroprudomenin,1TMS,isomer #5COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C(=O)C2O)C=C14218.7Semi standard non polar33892256
Dihydroprudomenin,1TMS,isomer #6COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C14208.1Semi standard non polar33892256
Dihydroprudomenin,2TMS,isomer #1COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C14124.4Semi standard non polar33892256
Dihydroprudomenin,2TMS,isomer #10COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C(=O)C2O)C=C14057.2Semi standard non polar33892256
Dihydroprudomenin,2TMS,isomer #11COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C(=O)C2O)C=C14067.3Semi standard non polar33892256
Dihydroprudomenin,2TMS,isomer #12COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C14036.5Semi standard non polar33892256
Dihydroprudomenin,2TMS,isomer #13COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C(=O)C2O)C=C14083.0Semi standard non polar33892256
Dihydroprudomenin,2TMS,isomer #14COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C14014.8Semi standard non polar33892256
Dihydroprudomenin,2TMS,isomer #15COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C14047.2Semi standard non polar33892256
Dihydroprudomenin,2TMS,isomer #2COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C14121.9Semi standard non polar33892256
Dihydroprudomenin,2TMS,isomer #3COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C14100.5Semi standard non polar33892256
Dihydroprudomenin,2TMS,isomer #4COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C14121.7Semi standard non polar33892256
Dihydroprudomenin,2TMS,isomer #5COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C14119.4Semi standard non polar33892256
Dihydroprudomenin,2TMS,isomer #6COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C(=O)C2O)C=C14088.4Semi standard non polar33892256
Dihydroprudomenin,2TMS,isomer #7COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C(=O)C2O)C=C14061.2Semi standard non polar33892256
Dihydroprudomenin,2TMS,isomer #8COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C(=O)C2O)C=C14098.4Semi standard non polar33892256
Dihydroprudomenin,2TMS,isomer #9COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C14054.5Semi standard non polar33892256
Dihydroprudomenin,3TMS,isomer #1COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C13991.7Semi standard non polar33892256
Dihydroprudomenin,3TMS,isomer #10COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C13976.6Semi standard non polar33892256
Dihydroprudomenin,3TMS,isomer #11COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C(=O)C2O)C=C13964.3Semi standard non polar33892256
Dihydroprudomenin,3TMS,isomer #12COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C(=O)C2O)C=C14007.0Semi standard non polar33892256
Dihydroprudomenin,3TMS,isomer #13COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C13943.4Semi standard non polar33892256
Dihydroprudomenin,3TMS,isomer #14COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C(=O)C2O)C=C13976.2Semi standard non polar33892256
Dihydroprudomenin,3TMS,isomer #15COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C13902.9Semi standard non polar33892256
Dihydroprudomenin,3TMS,isomer #16COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C13954.6Semi standard non polar33892256
Dihydroprudomenin,3TMS,isomer #17COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C(=O)C2O)C=C13970.4Semi standard non polar33892256
Dihydroprudomenin,3TMS,isomer #18COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C13912.3Semi standard non polar33892256
Dihydroprudomenin,3TMS,isomer #19COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C13938.2Semi standard non polar33892256
Dihydroprudomenin,3TMS,isomer #2COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C13959.9Semi standard non polar33892256
Dihydroprudomenin,3TMS,isomer #20COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C13926.8Semi standard non polar33892256
Dihydroprudomenin,3TMS,isomer #3COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C13997.6Semi standard non polar33892256
Dihydroprudomenin,3TMS,isomer #4COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C13966.4Semi standard non polar33892256
Dihydroprudomenin,3TMS,isomer #5COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C13971.3Semi standard non polar33892256
Dihydroprudomenin,3TMS,isomer #6COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C13988.8Semi standard non polar33892256
Dihydroprudomenin,3TMS,isomer #7COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C13972.9Semi standard non polar33892256
Dihydroprudomenin,3TMS,isomer #8COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C13979.4Semi standard non polar33892256
Dihydroprudomenin,3TMS,isomer #9COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C13941.9Semi standard non polar33892256
Dihydroprudomenin,4TMS,isomer #1COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C13886.1Semi standard non polar33892256
Dihydroprudomenin,4TMS,isomer #10COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C13878.1Semi standard non polar33892256
Dihydroprudomenin,4TMS,isomer #11COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C(=O)C2O)C=C13931.4Semi standard non polar33892256
Dihydroprudomenin,4TMS,isomer #12COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C13849.6Semi standard non polar33892256
Dihydroprudomenin,4TMS,isomer #13COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C13902.7Semi standard non polar33892256
Dihydroprudomenin,4TMS,isomer #14COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C13867.1Semi standard non polar33892256
Dihydroprudomenin,4TMS,isomer #15COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C13871.1Semi standard non polar33892256
Dihydroprudomenin,4TMS,isomer #2COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C13941.8Semi standard non polar33892256
Dihydroprudomenin,4TMS,isomer #3COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C13880.1Semi standard non polar33892256
Dihydroprudomenin,4TMS,isomer #4COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C13901.7Semi standard non polar33892256
Dihydroprudomenin,4TMS,isomer #5COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C13853.0Semi standard non polar33892256
Dihydroprudomenin,4TMS,isomer #6COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C13886.4Semi standard non polar33892256
Dihydroprudomenin,4TMS,isomer #7COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C13900.0Semi standard non polar33892256
Dihydroprudomenin,4TMS,isomer #8COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C13860.2Semi standard non polar33892256
Dihydroprudomenin,4TMS,isomer #9COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C13885.6Semi standard non polar33892256
Dihydroprudomenin,5TMS,isomer #1COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C13846.4Semi standard non polar33892256
Dihydroprudomenin,5TMS,isomer #2COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C13799.7Semi standard non polar33892256
Dihydroprudomenin,5TMS,isomer #3COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C13835.3Semi standard non polar33892256
Dihydroprudomenin,5TMS,isomer #4COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C13803.9Semi standard non polar33892256
Dihydroprudomenin,5TMS,isomer #5COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C13795.2Semi standard non polar33892256
Dihydroprudomenin,5TMS,isomer #6COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C13829.4Semi standard non polar33892256
Dihydroprudomenin,1TBDMS,isomer #1COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O)C=C14524.6Semi standard non polar33892256
Dihydroprudomenin,1TBDMS,isomer #2COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=CC(O)=C3C(=O)C2O)C=C14489.3Semi standard non polar33892256
Dihydroprudomenin,1TBDMS,isomer #3COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3C(=O)C2O)C=C14490.3Semi standard non polar33892256
Dihydroprudomenin,1TBDMS,isomer #4COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C(=O)C2O)C=C14488.5Semi standard non polar33892256
Dihydroprudomenin,1TBDMS,isomer #5COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C(=O)C2O)C=C14478.1Semi standard non polar33892256
Dihydroprudomenin,1TBDMS,isomer #6COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C14464.6Semi standard non polar33892256
Dihydroprudomenin,2TBDMS,isomer #1COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O)C=C14610.4Semi standard non polar33892256
Dihydroprudomenin,2TBDMS,isomer #10COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C(=O)C2O)C=C14551.3Semi standard non polar33892256
Dihydroprudomenin,2TBDMS,isomer #11COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C(=O)C2O)C=C14563.5Semi standard non polar33892256
Dihydroprudomenin,2TBDMS,isomer #12COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C14527.4Semi standard non polar33892256
Dihydroprudomenin,2TBDMS,isomer #13COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C(=O)C2O)C=C14561.2Semi standard non polar33892256
Dihydroprudomenin,2TBDMS,isomer #14COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C14516.4Semi standard non polar33892256
Dihydroprudomenin,2TBDMS,isomer #15COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C14514.9Semi standard non polar33892256
Dihydroprudomenin,2TBDMS,isomer #2COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O)C=C14627.0Semi standard non polar33892256
Dihydroprudomenin,2TBDMS,isomer #3COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O)C=C14611.5Semi standard non polar33892256
Dihydroprudomenin,2TBDMS,isomer #4COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O)C=C14609.5Semi standard non polar33892256
Dihydroprudomenin,2TBDMS,isomer #5COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C14609.0Semi standard non polar33892256
Dihydroprudomenin,2TBDMS,isomer #6COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3C(=O)C2O)C=C14565.1Semi standard non polar33892256
Dihydroprudomenin,2TBDMS,isomer #7COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C(=O)C2O)C=C14563.0Semi standard non polar33892256
Dihydroprudomenin,2TBDMS,isomer #8COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C(=O)C2O)C=C14563.8Semi standard non polar33892256
Dihydroprudomenin,2TBDMS,isomer #9COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=CC(O)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C14513.4Semi standard non polar33892256
Dihydroprudomenin,3TBDMS,isomer #1COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O)C=C14674.0Semi standard non polar33892256
Dihydroprudomenin,3TBDMS,isomer #10COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C14644.5Semi standard non polar33892256
Dihydroprudomenin,3TBDMS,isomer #11COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C(=O)C2O)C=C14656.2Semi standard non polar33892256
Dihydroprudomenin,3TBDMS,isomer #12COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C(=O)C2O)C=C14686.5Semi standard non polar33892256
Dihydroprudomenin,3TBDMS,isomer #13COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C14606.2Semi standard non polar33892256
Dihydroprudomenin,3TBDMS,isomer #14COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C(=O)C2O)C=C14658.5Semi standard non polar33892256
Dihydroprudomenin,3TBDMS,isomer #15COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C14604.6Semi standard non polar33892256
Dihydroprudomenin,3TBDMS,isomer #16COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C14606.9Semi standard non polar33892256
Dihydroprudomenin,3TBDMS,isomer #17COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C(=O)C2O)C=C14618.4Semi standard non polar33892256
Dihydroprudomenin,3TBDMS,isomer #18COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C14566.0Semi standard non polar33892256
Dihydroprudomenin,3TBDMS,isomer #19COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C14583.4Semi standard non polar33892256
Dihydroprudomenin,3TBDMS,isomer #2COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O)C=C14668.6Semi standard non polar33892256
Dihydroprudomenin,3TBDMS,isomer #20COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C14586.7Semi standard non polar33892256
Dihydroprudomenin,3TBDMS,isomer #3COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O)C=C14679.7Semi standard non polar33892256
Dihydroprudomenin,3TBDMS,isomer #4COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C14633.9Semi standard non polar33892256
Dihydroprudomenin,3TBDMS,isomer #5COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O)C=C14653.4Semi standard non polar33892256
Dihydroprudomenin,3TBDMS,isomer #6COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O)C=C14667.2Semi standard non polar33892256
Dihydroprudomenin,3TBDMS,isomer #7COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C14656.9Semi standard non polar33892256
Dihydroprudomenin,3TBDMS,isomer #8COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O)C=C14669.5Semi standard non polar33892256
Dihydroprudomenin,3TBDMS,isomer #9COC1=CC=C(C2OC3=C(OC)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C14639.4Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Dihydroprudomenin GC-MS (Non-derivatized) - 70eV, Positivesplash10-076r-9401800000-b05c4eb8df64b59e56c62017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Dihydroprudomenin GC-MS (2 TMS) - 70eV, Positivesplash10-00di-4741009000-8d917fd8ef06cd25b7c52017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Dihydroprudomenin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Dihydroprudomenin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dihydroprudomenin 10V, Positive-QTOFsplash10-001j-0109600000-0e2a65d8177f205a544a2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dihydroprudomenin 20V, Positive-QTOFsplash10-00lr-0309000000-c1ec692197ecbeca8cbc2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dihydroprudomenin 40V, Positive-QTOFsplash10-00li-1913000000-4d9c3af91e51f69a750b2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dihydroprudomenin 10V, Negative-QTOFsplash10-000x-1407900000-e1925a8da3a8e9a55b4c2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dihydroprudomenin 20V, Negative-QTOFsplash10-00lr-1409200000-d5469ed0910e9e106f162015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dihydroprudomenin 40V, Negative-QTOFsplash10-014i-4859000000-95b7f8d75792158001412015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dihydroprudomenin 10V, Positive-QTOFsplash10-001j-0009500000-ecc04427d7eddbb8d7952021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dihydroprudomenin 20V, Positive-QTOFsplash10-001i-0109000000-7a0bb1efed8bd78661882021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dihydroprudomenin 40V, Positive-QTOFsplash10-001i-0809000000-2e2f28bcd7192212233a2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dihydroprudomenin 10V, Negative-QTOFsplash10-000x-0003900000-007cd8a60d3003cd52922021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dihydroprudomenin 20V, Negative-QTOFsplash10-001l-0109700000-86f93eb8ffa27fb5eaab2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dihydroprudomenin 40V, Negative-QTOFsplash10-001i-0907200000-d4c6af2192b1e75171392021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB018914
KNApSAcK IDC00008691
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131752616
PDB IDNot Available
ChEBI ID175813
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .