KML
Summary
| Name: | pinocembrin |
| Synonyms: | (2~{S})-5,7-bis(oxidanyl)-2-phenyl-2,3-dihydrochromen-4-one |
| Formula: | C15 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 256.253 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-5,7-bis(oxidanyl)-2-phenyl-2,3-dihydrochromen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | URFCJEUYXNAHFI-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccccc3 |
| SMILES | CACTVS | 3.385 | Oc1cc(O)c2C(=O)C[CH](Oc2c1)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2CC(=O)c3c(cc(cc3O2)O)O |
