5,7-Dihydroxy-3,3',4',5'-tetramethoxyflavone
PubChem CID: 11417464
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| Compound Synonyms | 14585-04-7, 5,7-Dihydroxy-3,3',4',5'-tetramethoxyflavone, Myricetin methylether, N5KFY8NTR4, Myricetin 3,3',4',5'-tetramethyl ether, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-, 3,3',4',5'-tetramethylmyricetin, UNII-N5KFY8NTR4, 5,7-dihydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one, 5,7-dihydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one, Flavone, 5,7-dihydroxy-3,3',4',5'-tetramethoxy-, 5,7-dihydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one, CHEBI:146139, DTXSID00465276, 3,3',4',5'-tetra-o-methylmyricetin, 4H-1-Benzopyran-4-one,5,7-dihydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-, AR-683/41530204, CHEMBL189626, DTXCID90416095, LMPK12112793, AKOS015909226, FM66084, DB-081514, 5,7-Dihydroxy-3',3,4',5'-tetramethoxyflavone |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavonols |
| Deep Smiles | COccOC))cccc6OC))))cocccO)ccc6c=O)c%10OC)))))O |
| Heavy Atom Count | 27.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | O-methylated flavonoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 562.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 3.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C19H18O8 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Inchi Key | YSXLGTWJLNLXKQ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 5,7-dihydroxy-3,3',4',5'-tetramethoxyflavone |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cO, cOC, coc |
| Compound Name | 5,7-Dihydroxy-3,3',4',5'-tetramethoxyflavone |
| Exact Mass | 374.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 374.1 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 374.3 |
| 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/C19H18O8/c1-23-13-5-9(6-14(24-2)18(13)25-3)17-19(26-4)16(22)15-11(21)7-10(20)8-12(15)27-17/h5-8,20-21H,1-4H3 |
| Smiles | COC1=CC(=CC(=C1OC)OC)C2=C(C(=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
FOUND_INto/from Haldina Cordifolia (Plant) Rel Props:Reference:ISBN:9788185042114