8,4'-Dihydroxyisoflavone
PubChem CID: 15126653
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| Compound Synonyms | 8,4'-Dihydroxyisoflavone, 118024-87-6, 8-Hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, 8-hydroxy-3-(4-hydroxy-phenyl)-chromen-4-one, 8-HYDROXY-3-(4-HYDROXYPHENYL)CHROMEN-4-ONE, DTXSID70568627, CHEBI:187314, LMPK12050155, 8-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2CCC1C1CCCCC1 |
| Np Classifier Class | Isoflavones |
| Deep Smiles | Occcccc6))ccoccc6=O))cccc6O |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Isoflavonoids |
| Scaffold Graph Node Level | OC1C(C2CCCCC2)COC2CCCCC21 |
| Classyfire Subclass | Isoflav-2-enes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 382.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-hydroxy-3-(4-hydroxyphenyl)chromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O4 |
| Scaffold Graph Node Bond Level | O=c1c(-c2ccccc2)coc2ccccc12 |
| Inchi Key | GHZIEKMHELHOCL-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 8,4'-dihydroxyisoflavone |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, coc |
| Compound Name | 8,4'-Dihydroxyisoflavone |
| Exact Mass | 254.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 254.24 |
| 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/C15H10O4/c16-10-6-4-9(5-7-10)12-8-19-15-11(14(12)18)2-1-3-13(15)17/h1-8,16-17H |
| Smiles | C1=CC2=C(C(=C1)O)OC=C(C2=O)C3=CC=C(C=C3)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Isoflavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Calopogonium Mucunoides (Plant) Rel Props:Reference:ISBN:9788185042138