| Phytochemical Name : beta-Cadinene |
| PCNDIDB0065 |
| Pubchem CID : 10657 |
| Molecular formula: C15H24 |
| Canonical SMILES : CC1=CCC2C(C1)C(CC=C2C)C(C)C |
Synonymes : BETA-CADINENE|Cadina-3,9-diene|Cadine-3,9-diene|523-47-7|NCI-C56008|b-cadinene|beta-Cadinene, (-)-|.beta.-Cadinene|(-)-beta-Cadinene|CCRIS 5894|HSDB 4355|(-)-.beta.-Cadinene|NSC 46152|UNII-Z07LA0GY4J|.beta.-Cadinene, (-)-|Z07LA0GY4J|CHEBI:27723|NSC46152|NSC-46152|Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4aR,8aS)-|Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-(1alpha,4abeta,8aalpha))-|Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]-|(+)-beta-cadinene|CADINENE, BETA-|C09625|BETA-CADINENE [HSDB]|.BETA.-CADINENE [MI]|CHEMBL3120653|DTXSID0024713|LS-178|LMPR0103330003|Q27103285|BETA-CADINENE (SEE ALSO: CADINENE (CAS 29350-73-0))|Naphthalene,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-|(1S,4aR,8aS)-1-isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene|1-Isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]-|Naphthalene,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.370 |
| Log Po/w (XLOGP3) : 4.000 |
| Log Po/w (WLOGP) : 4.580 |
| Log Po/w (MLOGP) : 4.630 |
| Log Po/w (SILICOS-IT) : 3.730 |
| Consensus Log Po/w : 4.060 |