Record Information |
---|
Version | 5.0 |
---|
Status | Detected but not Quantified |
---|
Creation Date | 2022-09-09 19:28:14 UTC |
---|
Update Date | 2022-09-22 18:35:04 UTC |
---|
HMDB ID | HMDB0341168 |
---|
Secondary Accession Numbers | None |
---|
Metabolite Identification |
---|
Common Name | Kaempferol-3,7,4'-trimethyl ether |
---|
Description | Kaempferol 3,7,4'-trimethyl ether belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, kaempferol 3,7,4'-trimethyl ether is considered to be a flavonoid lipid molecule. Kaempferol 3,7,4'-trimethyl ether is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
---|
Structure | COC1=CC=C(C=C1)C1=C(OC)C(=O)C2=C(O)C=C(OC)C=C2O1 InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)17-18(23-3)16(20)15-13(19)8-12(22-2)9-14(15)24-17/h4-9,19H,1-3H3 |
---|
Synonyms | Value | Source |
---|
7-Trimethylkaempferol | ChEMBL |
|
---|
Chemical Formula | C18H16O6 |
---|
Average Molecular Weight | 328.32 |
---|
Monoisotopic Molecular Weight | 328.094688235 |
---|
IUPAC Name | 5-hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one |
---|
Traditional Name | 5-hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one |
---|
CAS Registry Number | Not Available |
---|
SMILES | COC1=CC=C(C=C1)C1=C(OC)C(=O)C2=C(O)C=C(OC)C=C2O1 |
---|
InChI Identifier | InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)17-18(23-3)16(20)15-13(19)8-12(22-2)9-14(15)24-17/h4-9,19H,1-3H3 |
---|
InChI Key | WSQWAMGRHJQANC-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. |
---|
Kingdom | Organic compounds |
---|
Super Class | Phenylpropanoids and polyketides |
---|
Class | Flavonoids |
---|
Sub Class | O-methylated flavonoids |
---|
Direct Parent | 7-O-methylated flavonoids |
---|
Alternative Parents | |
---|
Substituents | - 3-methoxyflavonoid-skeleton
- 4p-methoxyflavonoid-skeleton
- 7-methoxyflavonoid-skeleton
- Hydroxyflavonoid
- Flavone
- 5-hydroxyflavonoid
- 3-methoxychromone
- Chromone
- 1-benzopyran
- Benzopyran
- Anisole
- Phenol ether
- Phenoxy compound
- Methoxybenzene
- 1-hydroxy-2-unsubstituted benzenoid
- 1-hydroxy-4-unsubstituted benzenoid
- Pyranone
- Alkyl aryl ether
- Monocyclic benzene moiety
- Benzenoid
- Pyran
- Vinylogous acid
- Heteroaromatic compound
- Organoheterocyclic compound
- Oxacycle
- Ether
- Organic oxide
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic heteropolycyclic compound
|
---|
Molecular Framework | Aromatic heteropolycyclic compounds |
---|
External Descriptors | |
---|
Ontology |
---|
Not Available | Not Available |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Molecular Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Experimental Chromatographic Properties | Not Available |
---|
Predicted Molecular Properties | |
---|
Predicted Chromatographic Properties | Predicted Kovats Retention IndicesNot Available |
---|