2'-methoxybiochanin A
PubChem CID: 44257324
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| Compound Synonyms | 2'-methoxybiochanin A, 61243-75-2, 5,7-Dihydroxy-2',4'-dimethoxyisoflavone, 3-(2,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, 3-(2,4-dimethoxyphenyl)-5,7-dihydroxychromen-4-one, CHEMBL1088580, DTXSID20658062, LMPK12050329, XM161900, 3-(2,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, 5,7-Dihydroxy-2',4'-dimethoxyisoflavone, 3-(2,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 476.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2,4-dimethoxyphenyl)-5,7-dihydroxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C17H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PBUHDEMRGWYORH-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.566 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.77 |
| Compound Name | 2'-methoxybiochanin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 314.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4724992086956528 |
| Inchi | InChI=1S/C17H14O6/c1-21-10-3-4-11(14(7-10)22-2)12-8-23-15-6-9(18)5-13(19)16(15)17(12)20/h3-8,18-19H,1-2H3 |
| Smiles | COC1=CC(=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all