| Phytochemical Name : Bornyl caffeate |
| PCNDIDB0130 |
| Pubchem CID : 5477248 |
| Molecular formula: C19H24O4 |
| Canonical SMILES : CC1(C2CCC1(C(C2)OC(=O)C=CC3=CC(=C(C=C3)O)O)C)C |
Synonymes : bornyl caffeate|CHEMBL482354|(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate|Caffeic acid bornyl|NSC302300|(-)-bornyl-caffeate|BOHLMANN K1907|CHEBI:157708|BDBM50479627|NSC-302300|(1,7,7-trimethylnorbornan-2-yl) (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate|1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.150 |
| Log Po/w (XLOGP3) : 5.670 |
| Log Po/w (WLOGP) : 3.760 |
| Log Po/w (MLOGP) : 2.940 |
| Log Po/w (SILICOS-IT) : 3.530 |
| Consensus Log Po/w : 3.810 |