JXY
Summary
| Name: | (2~{S})-2-(4-hydroxyphenyl)-6,8-dimethyl-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one |
| Synonyms: | Farrerol |
| Formula: | C17 H16 O5 |
| Formal charge: | 0 |
| Formula weight: | 300.306 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(4-hydroxyphenyl)-6,8-dimethyl-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H16O5/c1-8-15(20)9(2)17-14(16(8)21)12(19)7-13(22-17)10-3-5-11(18)6-4-10/h3-6,13,18,20-21H,7H2,1-2H3/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | DYHOLQACRGJEHX-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(O)c(C)c2O[C@@H](CC(=O)c2c1O)c3ccc(O)cc3 |
| SMILES | CACTVS | 3.385 | Cc1c(O)c(C)c2O[CH](CC(=O)c2c1O)c3ccc(O)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c2c(c1O)C(=O)C[C@H](O2)c3ccc(cc3)O)C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c2c(c1O)C(=O)CC(O2)c3ccc(cc3)O)C)O |
