3-Hydroxy-4'-methoxyflavone
PubChem CID: 97141
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| Compound Synonyms | 6889-78-7, 4'-Methoxyflavonol, 3-Hydroxy-4'-methoxyflavone, 3-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one, 3-hydroxy-2-(4-methoxyphenyl)chromen-4-one, 3-Hydroxy-4-methoxyflavone, 4H-1-Benzopyran-4-one, 3-hydroxy-2-(4-methoxyphenyl)-, NSC 102030, NSC-102030, 328R9ELU9F, DTXSID60218967, MFCD00017682, NSC102030, ST066904, UNII-328R9ELU9F, Oprea1_311422, Oprea1_769880, 3-Hydroxy-4'-methoxyflavanone, CHEMBL406834, SCHEMBL4649637, DTXCID10141458, JS-057C, Flavone, 3-hydroxy-4'-methoxy-, HMS1766G03, 3-Hydroxy-4'-methoxyflavone, 97%, LMPK12111617, STK753122, 2-(4-Methoxyphenyl)-3-hydroxyflavon, AKOS000638962, 3-Hydroxy-2-(4-methoxyphenyl)chromone, CCG-104046, FM65952, NCGC00142582-01, PD117621, DB-055202, HY-111803, CS-0092575, EU-0034899, H1405, NS00115985, 3-hydroxy-2-(4-methoxyphenyl)-chromen-4-one, AG-690/12868759, EN300-18222520, SR-01000395025, SR-01000395025-1, Q63408844, Z56965928, 3-Hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one,3-hydroxy-2-(4-methoxyphenyl)-, 4H-1-Benzopyran-4-one, 3-hydroxy-2-(4-methoxyphenyl)-(9CI), 677-019-1 |
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| 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 | Flavonols |
| Deep Smiles | COcccccc6))cocccccc6c=O)c%10O |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | Flavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 407.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxy-2-(4-methoxyphenyl)chromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H12O4 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Inchi Key | IIBBFGMVMNZMGA-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 3-hydroxy-4'-methoxyflavone |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cO, cOC, coc |
| Compound Name | 3-Hydroxy-4'-methoxyflavone |
| Exact Mass | 268.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 268.26 |
| 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/C16H12O4/c1-19-11-8-6-10(7-9-11)16-15(18)14(17)12-4-2-3-5-13(12)20-16/h2-9,18H,1H3 |
| Smiles | COC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)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 Phaseolus Lunatus (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 2. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279