7,3',4'-Trimethoxyflavone
PubChem CID: 154227
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| Compound Synonyms | 22395-24-0, 2-(3,4-Dimethoxyphenyl)-7-methoxy-4H-chromen-4-one, 7,3',4'-Trimethoxyflavone, 3',4',7-Trimethoxyflavone, 2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one, C18H16O5, 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-7-methoxy-, CHEMBL13473, Oprea1_622775, Flavone, 3',4',7-trimethoxy-, 2-(3,4-Dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one, Oprea1_692463, SCHEMBL987112, DTXSID50176921, VSFZYCDPDWSYSS-UHFFFAOYSA-N, BDBM50420210, LMPK12110045, MFCD00143003, STL570255, AKOS000663258, FT66360, DB-006271, CS-0358577, EU-0038471, F17715, SR-01000434443, SR-01000434443-1, 2-(3,4-Dimethoxyphenyl)-7-methoxy-4H-chromen-4-one # |
|---|---|
| Topological Polar Surface Area | 54.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 460.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P08183 |
| Iupac Name | 2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT668 |
| Xlogp | 3.9 |
| Molecular Formula | C18H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VSFZYCDPDWSYSS-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -5.364 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.97 |
| Compound Name | 7,3',4'-Trimethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 312.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4761728086956527 |
| Inchi | InChI=1S/C18H16O5/c1-20-12-5-6-13-14(19)10-16(23-17(13)9-12)11-4-7-15(21-2)18(8-11)22-3/h4-10H,1-3H3 |
| Smiles | COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC(=C(C=C3)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Myroxylon Peruiferum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all