| Phytochemical Name : 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)- |
| PCNDIDOT0339 |
| Pubchem CID : 23204 |
| Molecular formula: C15H24 |
| Canonical SMILES : CC1=CCC(C=CCC(=CCC1)C)(C)C |
Synonymes : ALPHA-CARYOPHYLLENE|2,6,6,9-tetramethylcycloundeca-1,4,8-triene|6753-98-6|Humulene; alpha-Caryophyllene|1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)-|Spectrum_000133|SpecPlus_000469|Spectrum2_001995|Spectrum3_001125|Spectrum4_001969|KBioGR_002442|KBioSS_000593|DivK1c_006565|SPBio_002209|KBio1_001509|KBio2_000593|KBio2_003161|KBio2_005729|KBio3_002089|DTXSID50863940|FT-0622161 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.270 |
| Log Po/w (XLOGP3) : 4.550 |
| Log Po/w (WLOGP) : 5.040 |
| Log Po/w (MLOGP) : 4.530 |
| Log Po/w (SILICOS-IT) : 3.910 |
| Consensus Log Po/w : 4.260 |