X8W
Summary
| Name: | (2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one |
| Synonyms: | NARINGENIN CHALCONE |
| Formula: | C15 H12 O5 |
| Formal charge: | 0 |
| Formula weight: | 272.253 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one |
| OpenEye OEToolkits | 1.7.6 | (E)-3-(4-hydroxyphenyl)-1-[2,4,6-tris(oxidanyl)phenyl]prop-2-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1c(O)cc(O)cc1O)\C=C\c2ccc(O)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H |
| InChIKey | InChI | 1.03 | YQHMWTPYORBCMF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1)\C=C/C(=O)c2c(O)cc(O)cc2O |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1)C=CC(=O)c2c(O)cc(O)cc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1/C=C/C(=O)c2c(cc(cc2O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C=CC(=O)c2c(cc(cc2O)O)O)O |
