7-Hydroxy-5-methoxy-6,8-dimethylflavone
PubChem CID: 14753671
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEBI:70656, 7-hydroxy-5-methoxy-6,8-dimethylflavone, CHEMBL1271260, SCHEMBL661087, BDBM50482883, 7-hydroxy-6,8-dimethyl-5-methoxyflavone, Q27138988, 7-hydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one, 7-hydroxy-5-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-4-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavones |
| Deep Smiles | COccC)cO)ccc6c=O)cco6)cccccc6)))))))))))C |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | O-methylated flavonoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 452.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | B4URF0 |
| Iupac Name | 7-hydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 3.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C18H16O4 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Inchi Key | NXIOJDXYHLKSSC-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 7-hydroxy-5-methoxy-6,8-dimethyl flavone |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cO, cOC, coc |
| Compound Name | 7-Hydroxy-5-methoxy-6,8-dimethylflavone |
| Exact Mass | 296.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 296.3 |
| 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/C18H16O4/c1-10-16(20)11(2)18-15(17(10)21-3)13(19)9-14(22-18)12-7-5-4-6-8-12/h4-9,20H,1-3H3 |
| Smiles | CC1=C(C(=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)OC)C)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 Syzygium Nervosum (Plant) Rel Props:Reference:ISBN:9788172362133