3-Methoxyflavone
PubChem CID: 146013
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| Compound Synonyms | 3-Methoxyflavone, 7245-02-5, 3-methoxy-2-phenyl-4H-chromen-4-one, 3-methoxy-2-phenylchromen-4-one, 4H-1-Benzopyran-4-one, 3-methoxy-2-phenyl-, CHEMBL144625, V3ZW15O8B6, 3-Methoxy-2-phenyl-4H-1-benzopyran-4-one, 3-Methoxyflavon, 3-Methoxy-2-phenyl-chromen-4-one, MFCD00017612, UNII-V3ZW15O8B6, Oprea1_109952, FLAVONE, 3-METHOXY-, SCHEMBL253523, DTXSID10222751, ZAIANDVQAMEDFL-UHFFFAOYSA-N, HY-N9499, BDBM50439849, STL513179, AKOS015916540, CCG-250410, FM67113, AS-56785, PD158827, DB-055637, CS-0181942, M2364, NS00015826, T72880, Q27291507, InChI=1/C16H12O3/c1-18-16-14(17)12-9-5-6-10-13(12)19-15(16)11-7-3-2-4-8-11/h2-10H,1H |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavonols |
| Deep Smiles | COccoccc6=O))cccc6)))))))cccccc6 |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | O-methylated flavonoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 379.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methoxy-2-phenylchromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 3.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H12O3 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Inchi Key | ZAIANDVQAMEDFL-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 3-methoxyflavone, 3-methoxyflavones |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cOC, coc |
| Compound Name | 3-Methoxyflavone |
| Exact Mass | 252.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 252.26 |
| 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/C16H12O3/c1-18-16-14(17)12-9-5-6-10-13(12)19-15(16)11-7-3-2-4-8-11/h2-10H,1H3 |
| Smiles | COC1=C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3 |
| 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 Acacia Catechu (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 2. Outgoing r'ship
FOUND_INto/from Melilotus Indicus (Plant) Rel Props:Reference:ISBN:9780387706375