JU3
Summary
| Name: | 3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one |
| Synonyms: | Licoisoflavone A |
| Formula: | C20 H18 O6 |
| Formal charge: | 0 |
| Formula weight: | 354.353 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H18O6/c1-10(2)3-4-13-15(22)6-5-12(19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3 |
| InChIKey | InChI | 1.06 | KCUZCRLRQVRBBV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCc1c(O)ccc(c1O)C2=COc3cc(O)cc(O)c3C2=O |
| SMILES | CACTVS | 3.385 | CC(C)=CCc1c(O)ccc(c1O)C2=COc3cc(O)cc(O)c3C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=CCc1c(ccc(c1O)C2=COc3cc(cc(c3C2=O)O)O)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCc1c(ccc(c1O)C2=COc3cc(cc(c3C2=O)O)O)O)C |
