5,7,2',6'-Tetrahydroxyflavone
PubChem CID: 5321865
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| Compound Synonyms | 82475-00-1, 5,7,2',6'-Tetrahydroxyflavone, 2',5,6',7-tetrahydroxyflavone, 2-(2,6-dihydroxyphenyl)-5,7-dihydroxychromen-4-one, 4H-1-Benzopyran-4-one, 2-(2,6-dihydroxyphenyl)-5,7-dihydroxy-, 2-(2,6-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, SCHEMBL8158889, DTXSID40231750, HDA47500, HY-N9434, LMPK12110134, AKOS030552865, FS-6852, DA-69662, CS-0168080 |
|---|---|
| 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 | OcccO)ccc6)occc6=O)))ccO)cccc6O |
| 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 | 437.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,6-dihydroxyphenyl)-5,7-dihydroxychromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 1.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O6 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Inchi Key | WJXXUIYFPVIHDH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2,5,6,7-tetrahydroxyflavone |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, coc |
| Compound Name | 5,7,2',6'-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/c16-7-4-10(19)15-11(20)6-13(21-12(15)5-7)14-8(17)2-1-3-9(14)18/h1-6,16-19H |
| Smiles | C1=CC(=C(C(=C1)O)C2=CC(=O)C3=C(C=C(C=C3O2)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 Argemone Mexicana (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729