5,7-Dihydroxy-3',4'-dimethoxyflavone
PubChem CID: 5351234
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| Compound Synonyms | 4'-METHYLCHRYSOERIOL, 4712-12-3, 5,7-Dihydroxy-3',4'-dimethoxyflavone, Luteolin 3',4'-dimethyl ether, Kampferol-3,4'-dimethyl ether, NSC-128305, 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, NSC128305, 2-(3,4-dimethoxyphenyl)-5,7-dihydroxychromen-4-one, CHEMBL76426, 3FHI2X224O, Flavone, 5,7-dihydroxy-3',4'-dimethoxy-, 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-, 3',4'-Dimethoxyluteolin, 4'-Methylchrysoeriol?, NCIMech_000178, UNII-3FHI2X224O, 3'-O-METHYLDIOSMETIN, SCHEMBL2483636, Kampferol-3, 4'-dimethyl ether, DTXSID80197043, AOLOMULCAJQEIG-UHFFFAOYSA-N, EAA71212, BDBM50252426, CCG-35363, LMPK12110831, AKOS040732326, NSC 128305, Flavone,7-dihydroxy-3',4'-dimethoxy-, 5,7-Dihydroxy-3', 4'-dimethoxyflavone, 5,7-dihydroxy-3',4'-dimethoxy flavone, 5,7-dihydroxy-4',5'-dimethoxy flavone, DA-49732, MS-24607, NCI60_000644, PD011901, HY-112734, CS-0063122, G12067, 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-chromen-4-one, 4H-1-Benzopyran-4-one,4-dimethoxyphenyl)-5,7-dihydroxy-, 4H-1-Benzopyran-4-one, 2-(3, 4-dimethoxyphenyl)-5,7-dihydroxy-, 2-(3,4-DIMETHOXYPHENYL)-5,7-DIHYDROXY-4H-1-BENZOPYRAN-4-ONE |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavones |
| Deep Smiles | COcccccc6OC))))ccc=O)cco6)cccc6O)))O |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | O-methylated flavonoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 476.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P09917, Q16678, P09467 |
| Iupac Name | 2-(3,4-dimethoxyphenyl)-5,7-dihydroxychromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H14O6 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Inchi Key | AOLOMULCAJQEIG-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | luteolin-3',4'-dimethyl ether |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cO, cOC, coc |
| Compound Name | 5,7-Dihydroxy-3',4'-dimethoxyflavone |
| Exact Mass | 314.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 314.29 |
| 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/C17H14O6/c1-21-13-4-3-9(5-15(13)22-2)14-8-12(20)17-11(19)6-10(18)7-16(17)23-14/h3-8,18-19H,1-2H3 |
| Smiles | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
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