| Phytochemical Name : Cimiracemate A |
| PCNDIDC0163 |
| Pubchem CID : 5315874 |
| Molecular formula: C19H18O7 |
| Canonical SMILES : COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)CC2=CC(=C(C=C2)O)O)O |
Synonymes : Cimiracemate A|Cimiciphenol|UNII-P7969HTB05|P7969HTB05|3,4-Dihydroxyphenyl-2-oxopropyl isoferulate|478294-16-5|2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-, 3-(3,4-dihydroxyphenyl)-2-oxopropyl ester, (2E)-|[3-(3,4-dihydroxyphenyl)-2-oxopropyl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate|Compound NP-014313|CHEMBL1076184|SCHEMBL15251134|BDBM50236703|AKOS040738882|E87624|Q27286319|(E)-3-(3,4-DIHYDROXYPHENYL)-2-OXOPROPYL 3-(3-HYDROXY-4-METHOXYPHENYL)ACRYLATE |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.470 |
| Log Po/w (XLOGP3) : 2.450 |
| Log Po/w (WLOGP) : 2.070 |
| Log Po/w (MLOGP) : 1.110 |
| Log Po/w (SILICOS-IT) : 2.810 |
| Consensus Log Po/w : 2.180 |