A1L5R
Summary
| Name: | 1-(4-hydroxyphenyl)-3-[2-methoxy-3,4-bis(oxidanyl)phenyl]prop-2-en-1-one |
| Synonyms: | Licochalcone B |
| Formula: | C16 H14 O5 |
| Formal charge: | 0 |
| Formula weight: | 286.279 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(4-hydroxyphenyl)-3-[2-methoxy-3,4-bis(oxidanyl)phenyl]prop-2-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H14O5/c1-21-16-11(5-9-14(19)15(16)20)4-8-13(18)10-2-6-12(17)7-3-10/h2-9,17,19-20H,1H3/b8-4- |
| InChIKey | InChI | 1.06 | DRDRYGIIYOPBBZ-YWEYNIOJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1c(O)c(O)ccc1\C=C/C(=O)c2ccc(O)cc2 |
| SMILES | CACTVS | 3.385 | COc1c(O)c(O)ccc1C=CC(=O)c2ccc(O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1c(ccc(c1O)O)C=CC(=O)c2ccc(cc2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1c(ccc(c1O)O)C=CC(=O)c2ccc(cc2)O |
