| Phytochemical Name : Oleacein |
| PCNDIDO0014 |
| Pubchem CID : 18684078 |
| Molecular formula: C17H20O6 |
| Canonical SMILES : CC=C(C=O)C(CC=O)CC(=O)OCCC1=CC(=C(C=C1)O)O |
Synonymes : Oleacein|3,4-DHPEA-EDA|2-(3,4-dihydroxyphenyl)ethyl (Z)-4-formyl-3-(2-oxoethyl)hex-4-enoate|149183-75-5|SCHEMBL20572145|SCHEMBL22068052|CHEBI:175090|DTXSID501341882|2-(3,4-Dihydroxyphenyl)ethyl 4-formyl-3-formylmethyl-4-hexenoate|(E)-3-(2-Oxoethyl)-4-formyl-4-hexenoic acid 3,4-dihydroxyphenethyl ester|2-(3,4-dihydroxyphenyl)ethyl (4Z)-4-formyl-3-(2-oxoethyl)hex-4-enoate|2-(3,4-dihydroxyphenyl)ethyl (Z)-4-ormyl-3-(2-oxoethyl)hex-4-enoate|3-(2-Oxoethyl)-4-formyl-4-hexenoic acid 3,4-dihydroxyphenethyl ester |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.010 |
| Log Po/w (XLOGP3) : 1.110 |
| Log Po/w (WLOGP) : 1.920 |
| Log Po/w (MLOGP) : 1.060 |
| Log Po/w (SILICOS-IT) : 3.160 |
| Consensus Log Po/w : 1.850 |