Dihydroxyisoflavone
PubChem CID: 54702662
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| Compound Synonyms | dihydroxyisoflavone, Dioxy-phenyl-cumarin, SCHEMBL1607111, SCHEMBL11479865, 4,5-dihydroxy-3-phenyl-coumarin, AUYUTFGTSXJKRM-UHFFFAOYSA-N, IHHWIRIIIZBIDV-UHFFFAOYSA-N, 4,5-dihydroxy-3-phenyl-chromen-2-one, 2H-1-Benzopyran-2-one, 4,5-dihydroxy-3-phenyl- |
|---|---|
| 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 | CC1CC2CCCCC2CC1C1CCCCC1 |
| Deep Smiles | O=cocccccc6cc%10cccccc6)))))))O)))O |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Isoflavonoids |
| Scaffold Graph Node Level | OC1OC2CCCCC2CC1C1CCCCC1 |
| Classyfire Subclass | Hydroxyisoflavonoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 395.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5-dihydroxy-3-phenylchromen-2-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 3.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O4 |
| Scaffold Graph Node Bond Level | O=c1oc2ccccc2cc1-c1ccccc1 |
| Inchi Key | IHHWIRIIIZBIDV-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | dihydroxyisoflavone |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, coc |
| Compound Name | 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/c16-10-7-4-8-11-13(10)14(17)12(15(18)19-11)9-5-2-1-3-6-9/h1-8,16-17H |
| Smiles | C1=CC=C(C=C1)C2=C(C3=C(C=CC=C3OC2=O)O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Coumarins |
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