8-Hydroxyquercetagetin
PubChem CID: 44260065
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| Compound Synonyms | 8-Hydroxyquercetagetin, 3',4',5,6,7,8-hexahydroxyflavonol, 87926-83-8, 2-(3,4-dihydroxyphenyl)-3,5,6,7,8-pentahydroxychromen-4-one, 2-(3,4-Dihydroxyphenyl)-3,5,6,7,8-pentahydroxy-4H-1-benzopyran-4-one, 9CI, dihydroxyquercetin, CHEBI:184486, DTXSID201314589, LMPK12113327, 3,3',4',5,6,7,8-Heptahydroxyflavone |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 168.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavonols |
| Deep Smiles | Occcccc6O))))coccO)cO)ccc6c=O)c%10O))))O))O |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | Flavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 547.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-3,5,6,7,8-pentahydroxychromen-4-one |
| Class | Flavonoids |
| Veber Rule | False |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 1.5 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Flavones |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O9 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Inchi Key | IVVIBMKOLWEERH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-(3,4-Dihydroxyphenyl)-3,5,6,7,8-pentahydroxy-4H-1-benzopyran-4-one, 9ci, 3',4',5,6,7,8-Hexahydroxyflavonol, 8-Hydroxyquercetagetin, 8-hydroxyquercetagetin |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, coc |
| Compound Name | 8-Hydroxyquercetagetin |
| Kingdom | Organic compounds |
| Exact Mass | 334.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 334.032 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 334.23 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H10O9/c16-5-2-1-4(3-6(5)17)14-12(22)9(19)7-8(18)10(20)11(21)13(23)15(7)24-14/h1-3,16-18,20-23H |
| Smiles | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C(=C(C(=C3O2)O)O)O)O)O)O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Flavonols |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Tagetes Erecta (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279