QSO
Summary
| Name: | 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one |
| Synonyms: | Biochanin A |
| Formula: | C16 H12 O5 |
| Formal charge: | 0 |
| Formula weight: | 284.263 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one |
| OpenEye OEToolkits | 1.5.0 | 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c3c(OC=C1c2ccc(OC)cc2)cc(O)cc3O |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O |
| SMILES | CACTVS | 3.341 | COc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)C2=COc3cc(cc(c3C2=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)C2=COc3cc(cc(c3C2=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3 |
| InChIKey | InChI | 1.03 | WUADCCWRTIWANL-UHFFFAOYSA-N |
