| Phytochemical Name : 3-p-Coumaroylquinic acid |
| PCNDIDOT0802 |
| Pubchem CID : 9945785 |
| Molecular formula: C16H18O8 |
| Canonical SMILES : C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O)O |
Synonymes : 3-p-coumaroylquinic acid|3-p-Coqa|3-O-Coumaroylquinic acid|87099-71-6|1AF7V9VW0S|UNII-1AF7V9VW0S|(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid|o-Coumaroylquinic acid|3-O-p-Coumaroylquinic acid|Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-(((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-, (1R,3R,4S,5R)-|(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-cyclohexane-1-carboxylic acid|32451-86-8|5-Coumaroyl quinic acid|p-Coumaroyl 5-O-quinate|5-O-p-Coumaroylquinic acid|SCHEMBL21240786|CHEBI:75499|CHEBI:167530|DTXSID301344004|AKOS040740142|NCGC00384821-01|(1R,3R,4S,5R)-1,3,4-trihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylic acid|1,4,5-Trihydroxy-3-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]cyclohexanecarboxylic acid, 9CI |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.880 |
| Log Po/w (XLOGP3) : -0.070 |
| Log Po/w (WLOGP) : -0.460 |
| Log Po/w (MLOGP) : -0.540 |
| Log Po/w (SILICOS-IT) : -0.150 |
| Consensus Log Po/w : -0.070 |