Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2021-09-24 11:05:47 UTC |
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Update Date | 2021-09-24 11:05:47 UTC |
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HMDB ID | HMDB0304609 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | Isonormangostin |
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Description | 10,16-dihydroxy-6,6,19,19-tetramethyl-5,13,18-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-1(22),3(12),4(9),10,14,16-hexaen-2-one belongs to the class of organic compounds known as pyranoxanthones. These are organic aromatic compounds containing a pyran or a hydrogenated derivative fused to a xanthone ring system. Based on a literature review very few articles have been published on 10,16-dihydroxy-6,6,19,19-tetramethyl-5,13,18-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-1(22),3(12),4(9),10,14,16-hexaen-2-one. |
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Structure | CC1(C)CCC2=C(O1)C(O)=CC1=C2C(=O)C2=C(O1)C=C(O)C1=C2OC(C)(C)CC1 InChI=1S/C23H24O6/c1-22(2)8-6-12-17-15(10-14(25)20(12)28-22)27-16-9-13(24)11-5-7-23(3,4)29-21(11)18(16)19(17)26/h9-10,24-25H,5-8H2,1-4H3 |
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Synonyms | Value | Source |
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1-Isonormangostin | PhytoBank |
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Chemical Formula | C23H24O6 |
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Average Molecular Weight | 396.439 |
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Monoisotopic Molecular Weight | 396.157288493 |
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IUPAC Name | 10,16-dihydroxy-6,6,19,19-tetramethyl-5,13,18-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),10,15,17(22)-hexaen-2-one |
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Traditional Name | 10,16-dihydroxy-6,6,19,19-tetramethyl-5,13,18-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-1(14),3(12),4(9),10,15,17(22)-hexaen-2-one |
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CAS Registry Number | Not Available |
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SMILES | CC1(C)CCC2=C(O1)C(O)=CC1=C2C(=O)C2=C(O1)C=C(O)C1=C2OC(C)(C)CC1 |
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InChI Identifier | InChI=1S/C23H24O6/c1-22(2)8-6-12-17-15(10-14(25)20(12)28-22)27-16-9-13(24)11-5-7-23(3,4)29-21(11)18(16)19(17)26/h9-10,24-25H,5-8H2,1-4H3 |
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InChI Key | NAONXHGSDQDBNY-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as pyranoxanthones. These are organic aromatic compounds containing a pyran or a hydrogenated derivative fused to a xanthone ring system. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Benzopyrans |
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Sub Class | 1-benzopyrans |
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Direct Parent | Pyranoxanthones |
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Alternative Parents | |
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Substituents | - Pyranoxanthone
- 2,2-dimethyl-1-benzopyran
- Chromone
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Phenol
- Pyranone
- Pyran
- Benzenoid
- Heteroaromatic compound
- Vinylogous ester
- Ether
- Oxacycle
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organic oxide
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesNot Available |
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