5'-Methoxybilobetin
PubChem CID: 5319411
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| Compound Synonyms | 5'-Methoxybilobetin, CHEBI:192875, DTXSID001103924, 77053-35-1, 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2,3-dimethoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one, 8-[5-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,3-dimethoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 8-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2,3-dimethoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 172.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 43.0 |
| Description | Isolated from Ginkgo biloba (ginkgo). 5'-Methoxybilobetin is found in ginkgo nuts and fats and oils. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1110.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2,3-dimethoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Nih Violation | True |
| Class | Flavonoids |
| Xlogp | 5.3 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Biflavonoids and polyflavonoids |
| Molecular Formula | C32H22O11 |
| Inchi Key | RQNXAFVREOYDNA-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | 5'-Methoxybilobetin |
| Compound Name | 5'-Methoxybilobetin |
| Kingdom | Organic compounds |
| Exact Mass | 582.116 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 582.116 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 582.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C32H22O11/c1-40-27-8-15(25-12-22(38)29-19(35)9-17(34)10-26(29)42-25)7-18(31(27)41-2)28-20(36)11-21(37)30-23(39)13-24(43-32(28)30)14-3-5-16(33)6-4-14/h3-13,33-37H,1-2H3 |
| Smiles | COC1=CC(=CC(=C1OC)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)O)C5=CC(=O)C6=C(C=C(C=C6O5)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Biflavonoids and polyflavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:fooddb_chem_all