G50
Summary
| Name: | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-1-ONE |
| Formula: | C15 H14 O5 |
| Formal charge: | 0 |
| Formula weight: | 274.269 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one |
| OpenEye OEToolkits | 3.1.0.0 | 3-(4-hydroxyphenyl)-1-[2,4,6-tris(oxidanyl)phenyl]propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O |
| InChI | InChI | 1.06 | InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2 |
| InChIKey | InChI | 1.06 | VGEREEWJJVICBM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 |
| SMILES | CACTVS | 3.385 | Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O |
