| Phytochemical Name : Typhic acid |
| PCNDIDT0130 |
| Pubchem CID : 54695503 |
| Molecular formula: C19H20O7 |
| Canonical SMILES : CCC(C)OC(=O)C1=CC(CC2=C1C=CC=C2C(=CC(=O)O)O)C(=O)O |
Synonymes : Typhic acid|112365-93-2|DTXSID70920741|1,3-Naphthalenedicarboxylic acid, 5-(2-carboxy-1-hydroxyethenyl)-3,4-dihydro-, 3-butyl ester, (Z)-|4-{[(Butan-2-yl)oxy]carbonyl}-8-(3,3-dihydroxyprop-2-enoyl)-1,2-dihydronaphthalene-2-carboxylic acid |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.870 |
| Log Po/w (XLOGP3) : 3.080 |
| Log Po/w (WLOGP) : 2.650 |
| Log Po/w (MLOGP) : 1.350 |
| Log Po/w (SILICOS-IT) : 2.090 |
| Consensus Log Po/w : 2.210 |