HCC
Summary
| Name: | 2',4,4'-TRIHYDROXYCHALCONE |
| Formula: | C15 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 256.253 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
| OpenEye OEToolkits | 1.5.0 | 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1ccc(O)cc1O)\C=C\c2ccc(O)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(cc1)/C=C/C(=O)c2ccc(O)cc2O |
| SMILES | CACTVS | 3.341 | Oc1ccc(cc1)C=CC(=O)c2ccc(O)cc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+ |
| InChIKey | InChI | 1.03 | DXDRHHKMWQZJHT-FPYGCLRLSA-N |
