3'-Hydroxy-5,6,7,4'-tetramethoxyflavone
PubChem CID: 7020615
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| Compound Synonyms | 21764-09-0, eupatorin-5-methyl ether, Eupatorin-5-methylether, 3'-Hydroxy-5,6,7,4'-tetramethoxyflavone, Eupatorin 5-Methyl Ether, 2-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-4H-chromen-4-one, 2-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxychromen-4-one, CHEMBL124885, 6-Hydroxyluteolin 5,6,7,4'-tetramethyl ether, 3'-Hydroxy-4',5,6,7-tetramethoxyflavone, 2-(3-Hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one, 3'-Hydroxy-4',5,6,7-tetramethoxyflavone, 3'-Hydroxy-5,6,7,4'-tetramethoxyflavone, DR 33, , SCHEMBL1764630, DTXSID70427265, LYLDPYNWDVVPIQ-UHFFFAOYSA-N, HY-N8930, BDBM50134461, LMPK12111241, MFCD00016928, eupatorin-5-methyl ether, AldrichCPR, 4H-1-Benzopyran-4-one,2-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-, AKOS024286205, FE23208, FS-6821, DA-63327, CS-0149388, 2-(3-Hydroxy-4-methoxy-phenyl)-5,6,7-trimethoxy-chromen-4-one, 2-(3-Hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one, 3'-Hydroxy-4',5,6,7-tetramethoxyflavone, 3'-Hydroxy-5,6,7,4'-tet ramethoxyflavone |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 83.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavones |
| Deep Smiles | COcccoccc=O)c6cc%10OC)))OC))))))cccccc6)O))OC |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | O-methylated flavonoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 534.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxychromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C19H18O7 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Inchi Key | LYLDPYNWDVVPIQ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | eupatorin-5-methylether, flavone, 3'-hydroxy-5,6,7.4'-tetramethoxy |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cO, cOC, coc |
| Compound Name | 3'-Hydroxy-5,6,7,4'-tetramethoxyflavone |
| Exact Mass | 358.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 358.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 358.3 |
| 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/C19H18O7/c1-22-13-6-5-10(7-11(13)20)14-8-12(21)17-15(26-14)9-16(23-2)18(24-3)19(17)25-4/h5-9,20H,1-4H3 |
| Smiles | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)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 Orthosiphon Aristatus (Plant) Rel Props:Reference:ISBN:9788185042145