DFV
Summary
| Name: | 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE |
| Synonyms: | 5-DEOXYFLAVANONE |
| Formula: | C15 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 256.253 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one |
| OpenEye OEToolkits | 1.5.0 | (2S)-7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2c3c(OC(c1ccc(O)cc1)C2)cc(O)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(cc1)[C@@H]2CC(=O)c3ccc(O)cc3O2 |
| SMILES | CACTVS | 3.341 | Oc1ccc(cc1)[CH]2CC(=O)c3ccc(O)cc3O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C2CC(=O)c3ccc(cc3O2)O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | FURUXTVZLHCCNA-AWEZNQCLSA-N |
