7,2',4'-Trimethoxyflavone
PubChem CID: 688837
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| Compound Synonyms | 7,2',4'-Trimethoxyflavone, 7578-51-0, 2-(2,4-dimethoxyphenyl)-7-methoxychromen-4-one, 2-(2,4-dimethoxyphenyl)-7-methoxy-4H-chromen-4-one, DTXSID50350981, 4H-1-Benzopyran-4-one, 2-(2,4-dimethoxyphenyl)-7-methoxy-, ST057372, SCHEMBL3691018, DTXCID70302048, LMPK12110055, AKOS024282658, DA-03035 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 54.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavones |
| Deep Smiles | COcccccc6)OC)))ccc=O)cco6)cccc6))OC |
| 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 | 460.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,4-dimethoxyphenyl)-7-methoxychromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 3.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C18H16O5 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Inchi Key | YPQZGQIOLDZFBE-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 7,2',4'-trimethoxyflavone |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cOC, coc |
| Compound Name | 7,2',4'-Trimethoxyflavone |
| Exact Mass | 312.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 312.3 |
| 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/C18H16O5/c1-20-11-5-7-14(16(8-11)22-3)18-10-15(19)13-6-4-12(21-2)9-17(13)23-18/h4-10H,1-3H3 |
| Smiles | COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=C(C=C(C=C3)OC)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 Grangea Maderaspatana (Plant) Rel Props:Reference:ISBN:9789327275590