6-Methoxyflavone
PubChem CID: 147157
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| Compound Synonyms | 6-Methoxyflavone, 26964-24-9, 6-Methoxy-2-phenyl-4H-chromen-4-one, 6-methoxy-2-phenylchromen-4-one, 4H-1-Benzopyran-4-one, 6-methoxy-2-phenyl-, Flavone, 6-methoxy-, BRN 0218520, EINECS 248-144-5, QAX7R06N2Q, 6-Methoxy-2-phenyl-4H-1-benzopyran-4-one, MFCD00017322, UNII-QAX7R06N2Q, METHOXYFLAVONE, 6-, CHEMBL137586, DTXSID50181459, 5-18-02-00257 (Beilstein Handbook Reference), 6-Methoxy-2-phenyl-4-benzopyrone, 6-Methoxy-2-phenyl-chromen-4-one, Maybridge4_001878, 6-Methoxyflavone, 99%, 4H-1-Benzopyran-4-one,6-methoxy-2-phenyl-, Oprea1_826922, MLS002473406, BIDD:ER0437, SCHEMBL312059, MEGxp0_001705, ACon1_000249, DTXCID10103950, CHEBI:193017, Flavone, 6-methoxy-(7CI,8CI), HMS1526F08, BDBM50081946, LMPK12110100, STL561017, AKOS002246841, CCG-250451, DS-9912, FM66838, HY-W097625, NCGC00177162-01, NCGC00177162-02, PD158872, SMR001397497, DB-047071, CS-0166748, M1346, NS00015827, D81756, BRD-K41667702-001-02-9 |
|---|---|
| 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 | Flavones |
| Deep Smiles | COcccccc6)c=O)cco6)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 | 368.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methoxy-2-phenylchromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 3.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H12O3 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Inchi Key | XZQLSABETMKIGG-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 6-methoxy-flavones, 6-methoxyflavone |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cOC, coc |
| Compound Name | 6-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/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11/h2-10H,1H3 |
| Smiles | COC1=CC2=C(C=C1)OC(=CC2=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 Eupatorium Cannabinum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/2594467 - 2. Outgoing r'ship
FOUND_INto/from Santolina Chamaecyparissus (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279