| Phytochemical Name : Thujopsene |
| PCNDIDT0061 |
| Pubchem CID : 442402 |
| Molecular formula: C15H24 |
| Canonical SMILES : CC1=CCC2(CCCC(C23C1C3)(C)C)C |
Synonymes : Thujopsene|(-)-Thujopsene|470-40-6|Sesquichamene|WIDDRENE|Thujopsene, (-)-|cis-Thujopsene|UNII-E116U47P7N|E116U47P7N|EINECS 207-426-8|NSC 44707|(1aS,4aS,8aS)-2,4a,8,8-tetramethyl-1,1a,4,5,6,7-hexahydrocyclopropa[j]naphthalene|cis-(-)-Thujopsene|Thujopsen|Cyclopropa(d)naphthalene, 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-, (1aS,4aS,8aS)-|NSC-44707|(-)-widdrene|(1AS-(1aalpha,4abeta,8aR*))-1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethylcyclopropa(d)naphthalene|[1aS-(1aalpha,4abeta,8aR*)]-1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethylcyclopropa[d]naphthalene|CYCLOPROPA(D)NAPHTHALENE, 1,1A,4,4A,5,6,7,8-OCTAHYDRO-2,4A,8,8-TETRAMETHYL-, (1AS-(1A.ALPHA.,4A.BETA.,8AR*))-|Cyclopropa[d]naphthalene, 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-, (1aS,4aS,8aS)-|Cyclopropa[d]naphthalene, 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-, [1aS-(1a.alpha.,4a.beta.,8aR*)]-|THUJOPSENE [MI]|CHEBI:9578|Cyclopropa(D)Naphthalene, 1,1A,4,4A,5,6,7,8-Octahydro-2,4A,8,8-Tetramethyl-, (1As,4As,8As)|AKOS015914102|LMPR0103860001|(-)-Thujopsene, >=97.0% (GC)|C09740|A827133|Q15269711|(1aS,4aS,8aS)-2,4a,8,8-tetramethyl-1,1a,4,4a,5,6,7,8-octahydrocyclopropa[d]naphthalene|1,1a,4,4a,5,6,7,8-Octahydro-2,4a,8,8-tetramethylcyclopropa[d]naphthalene|Cyclopropa(d)naphthalene, 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-, (1aS-(1aalpha,4abeta,8aR*))- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.150 |
| Log Po/w (XLOGP3) : 4.760 |
| Log Po/w (WLOGP) : 4.560 |
| Log Po/w (MLOGP) : 5.650 |
| Log Po/w (SILICOS-IT) : 4.300 |
| Consensus Log Po/w : 4.480 |