JN0
Summary
| Name: | 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one |
| Synonyms: | Glycyrrhisoflavone |
| 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)-4,5-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)3-4-11-5-12(6-16(23)19(11)24)14-9-26-17-8-13(21)7-15(22)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3 |
| InChIKey | InChI | 1.06 | JOQWUUJQWPZLAT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCc1cc(cc(O)c1O)C2=COc3cc(O)cc(O)c3C2=O |
| SMILES | CACTVS | 3.385 | CC(C)=CCc1cc(cc(O)c1O)C2=COc3cc(O)cc(O)c3C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=CCc1cc(cc(c1O)O)C2=COc3cc(cc(c3C2=O)O)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCc1cc(cc(c1O)O)C2=COc3cc(cc(c3C2=O)O)O)C |
