2-(3,4-Dimethoxyphenyl)-7-hydroxy-4H-chromen-4-one
PubChem CID: 5378518
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| Compound Synonyms | 2-(3,4-Dimethoxyphenyl)-7-hydroxy-4H-chromen-4-one, 33513-36-9, 3',4'-Dimethoxy-7-hydroxyflavone, 7-Hydroxy-3',4'-dimethoxyflavone, 5JN0O0F1KZ, NSC-123383, 2-(3,4-dimethoxyphenyl)-7-hydroxychromen-4-one, UNII-5JN0O0F1KZ, 7-Hydroxy-3',4'-dimethoxy flavone, NSC 123383, Flavone, 7-hydroxy-3',4'-dimethoxy-, NSC123383, MLS002707291, CHEMBL345778, DTXSID50187153, 7-Hydroxy-3,4'-dimethoxy flavone, 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-7-hydroxy-, 2-(3,4-DIMETHOXYPHENYL)-7-HYDROXY-4H-1-BENZOPYRAN-4-ONE, Flavone,4'-dimethoxy-, SCHEMBL4400168, DTXCID60109644, 3',4'-dimethoxy-7-hydroxy-flavone, 3', 4'-Dimethoxy-7-hydroxyflavone, BDBM50049402, LMPK12110048, NCI60_000550, SMR001574685, EN300-179337, 2-(3,4-dimethoxyphenyl)-7-hydroxy-chromen-4-one, 2-(3,4-Dimethoxy-phenyl)-7-hydroxy-chromen-4-one, 4H-1-Benzopyran-4-one,4-dimethoxyphenyl)-7-hydroxy-, Q23371022, 2-(3,4-Dimethoxyphenyl)-7-hydroxy-4H-chromen-4-one #, Z1846974623, 4H-1-Benzopyran-4-one, 2-(3, 4-dimethoxyphenyl)-7-hydroxy- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavones |
| Deep Smiles | COcccccc6OC)))))ccc=O)cco6)cccc6))O |
| 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 | 446.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dimethoxyphenyl)-7-hydroxychromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 3.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H14O5 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Inchi Key | MEDOAKSPIIOKFU-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 7-hydroxy-3',4'-dimethoxyflavone, flavone, 7-hydroxy-3',4'-dimethoxy |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cO, cOC, coc |
| Compound Name | 2-(3,4-Dimethoxyphenyl)-7-hydroxy-4H-chromen-4-one |
| Exact Mass | 298.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 298.29 |
| 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/C17H14O5/c1-20-14-6-3-10(7-17(14)21-2)15-9-13(19)12-5-4-11(18)8-16(12)22-15/h3-9,18H,1-2H3 |
| Smiles | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)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 Launaea Aspleniifolia (Plant) Rel Props:Reference:ISBN:9770972795006