| Phytochemical Name : delta-Guaiene |
| PCNDIDD0056 |
| Pubchem CID : 94275 |
| Molecular formula: C15H24 |
| Canonical SMILES : CC1CCC2=C(CCC(CC12)C(=C)C)C |
Synonymes : delta-Guaiene|alpha-Bulnesene|3691-11-0|(+)-alpha-bulnesene|2U8L6FYE8U|Guaia-1(10),11-diene|(3S,3aS,5R)-3,8-dimethyl-5-(prop-1-en-2-yl)-1,2,3,3a,4,5,6,7-octahydroazulene|(3S,3aS,5R)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene|.delta.-Guaiene|.alpha.-Bulnesene|.DELTA.-BULNESENE|UNII-2U8L6FYE8U|CHEBI:63447|DTXSID30190387|Azulene, 1,2,3,5,6,7,8,8a-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1S,7R,8aS)-|C20174|Q27132629|(3R,3AS,5S)-3,8-DIMETHYL-5-PROP-1-EN-2-YL-1,2,3,3A,4,5,6,7-OCTAHYDROAZULENE|Azulene, 1,2,3,5,6,7,8,8a-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1S-(1alpha,4alpha,7alpha))- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.860 |
| Log Po/w (XLOGP3) : 6.030 |
| Log Po/w (WLOGP) : 5.200 |
| Log Po/w (MLOGP) : 4.840 |
| Log Po/w (SILICOS-IT) : 4.930 |
| Consensus Log Po/w : 4.970 |