| Phytochemical Name : (-)-leukotoxin B |
| PCNDIDOT0020 |
| Pubchem CID : 5281128 |
| Molecular formula: C18H32O3 |
| Canonical SMILES : CCCCCC1C(O1)CC=CCCCCCCCC(=O)O |
Synonymes : (-)-leukotoxin B|(-)-vernolic acid|Vernolic acid, cis-(-)-|Vernolic acid (-)-form [MI]|(-)-Vernolsaeure|UNII-FF156V3318|(12R,13S)-(-)-12,13-Epoxyoleic acid|32381-42-3|FF156V3318|9-Undecenoic acid, 11-((2R,3S)-3-pentyl-2-oxiranyl)-, (9Z)-|(-)-12(R),13(S)-vernolic acid|cis-12S,13R,-ep, 9c-18:1|(9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid|cis-12,13-Epoxy-cis-9-octadecenoic acid|(12R,13S)-(9Z)-12,13-Epoxyoctadecenoic acid|(9Z)-(12R,13S)-12,13-Epoxyoctadecenoic acid|cis-12,13-epoxy-9(z)-octadecenoic acid|cis-(-)-vernolic acid|SCHEMBL2507620|CHEBI:38300|DTXSID001205124|12R,13S-epoxy-9(Z)-octadecenoic acid|C08368|Q7922031|(9Z)-11-[(2R,3S)-3-Pentyl-2-oxiranyl]-9-undecenoic acid |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.120 |
| Log Po/w (XLOGP3) : 5.570 |
| Log Po/w (WLOGP) : 5.100 |
| Log Po/w (MLOGP) : 3.290 |
| Log Po/w (SILICOS-IT) : 5.440 |
| Consensus Log Po/w : 4.700 |