7,3',4',5'-Tetrahydroxyflavone
PubChem CID: 5393164
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| Compound Synonyms | 7,3',4',5'-Tetrahydroxyflavone, 67858-31-5, 7-hydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one, 7-hydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 7-hydroxy-2-(3,4,5-trihydroxyphenyl)-, 3-Deoxyrobinetin, SCHEMBL158519, 7,3,4,5-tetrahydroxyflavone, CHEMBL398328, BDBM26661, DTXSID70419827, CCCIGFPBADVTFE-UHFFFAOYSA-N, LMPK12110051, AKOS024287166, XT183039, Q63392279 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavones |
| Deep Smiles | Occcccc6)occc6=O)))cccO)ccc6)O))O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | Flavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 435.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O6 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Inchi Key | CCCIGFPBADVTFE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 3',4',5,7-tetrahydroxyflavone |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, coc |
| Compound Name | 7,3',4',5'-Tetrahydroxyflavone |
| Exact Mass | 286.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 286.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H10O6/c16-8-1-2-9-10(17)6-13(21-14(9)5-8)7-3-11(18)15(20)12(19)4-7/h1-6,16,18-20H |
| Smiles | C1=CC2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C(=C3)O)O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279