4'-Methoxyflavone
PubChem CID: 77793
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| Compound Synonyms | 4'-Methoxyflavone, 4143-74-2, 2-(4-methoxyphenyl)-4H-chromen-4-one, 2-(4-methoxyphenyl)chromen-4-one, 4H-1-Benzopyran-4-one, 2-(4-methoxyphenyl)-, 4-Methoxy Flavone, 2-(4-Methoxy-phenyl)-chromen-4-one, 2-(4-Methoxyphenyl)-4-benzopyrone, EINECS 223-968-8, CHEMBL16312, DTXSID0063319, Flavone, 4'-methoxy-, SR-01000471678, 4' methoxyflavone, 4''-methoxyflavone, MFCD00016934, Flavone, 4'-methoxy, Spectrum_000114, Spectrum2_000774, Spectrum3_001269, Spectrum4_001629, Spectrum5_000417, CBMicro_029575, ChemDiv2_004185, Cambridge id 5324654, CBiol_000291, Oprea1_031095, Oprea1_274709, BSPBio_002838, KBioGR_002037, KBioSS_000554, SPECTRUM240958, cid_77793, MLS000863607, BIDD:ER0472, SCHEMBL311931, SPBio_000848, F0400-0028, MEGxp0_001873, DTXCID7039915, ACon1_002036, KBio2_000554, KBio2_003122, KBio2_005690, KBio3_002338, 4l10, CHEBI:114194, HMS1380O05, HMS2271I03, 2-(4-methoxyphenyl)-chromen-4-one, BDBM50310189, CCG-40164, ICCB2_000291, AKOS000603631, FM67346, SDCCGMLS-0066544.P001, IDI1_002900, NCGC00095556-01, NCGC00095556-02, NCGC00095556-03, NCGC00178443-01, NCGC00178443-02, 2-(4-methoxy-phenyl)-4H-chromen-4-one, 2-(4-methoxyphenyl)-1-benzopyran-4-one, AS-56897, PD002073, SMR000440756, BIM-0029447.P001, DB-116308, HY-139054, CS-0179255, EU-0042497, M2887, NS00015829, T72446, AD-310/30361023, SR-01000471678-1, SR-01000471678-3, BRD-K76337122-001-02-9, BRD-K76337122-001-03-7, Q27195318, 223-968-8, A63 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 366.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q05769, P27338, P21397, n.a., P02545, Q99714, B2RXH2, P51151, Q16637, P10636, P10828, P00352, Q194T2, P97697, O15118, P15428, P04637, P06280, P08684, P04062, Q92830, Q96P20, Q96QE3, O89049, P51843, P84022, P08659, O94782, P38398, Q16236, Q9NUW8, O95271, Q9Y6L6, Q9NPD5, Q03431, Q12809, P22460, P0DTD1, P03468 |
| Iupac Name | 2-(4-methoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT582, NPT483, NPT149, NPT48, NPT537, NPT93, NPT51, NPT46, NPT94, NPT538, NPT151, NPT539, NPT501, NPT109, NPT584, NPT588, NPT98, NPT3839 |
| Xlogp | 3.5 |
| Molecular Formula | C16H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OMICQBVLCVRFGN-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -5.46 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.102 |
| Compound Name | 4'-Methoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 252.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 252.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3820256947368414 |
| Inchi | InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-10H,1H3 |
| Smiles | COC1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cullen Corylifolium (Plant) Rel Props:Source_db:cmaup_ingredients