| Phytochemical Name : (1R,2R,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol |
| PCNDIDOT0091 |
| Pubchem CID : 73114 |
| Molecular formula: C20H36O2 |
| Canonical SMILES : CC1(CCCC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C |
Synonymes : C20H36O2|Sclareol (6CI)|Labd-14-ene-8,13-diol, (13R)-|SCHEMBL1245831|NP164|(1R - (1a(R*),2b,4ab,8aa)) - 2 - hydroxy - a,2,5,5,8a - pentamethyl - a - vinyldecahydronaphthalene - 1 - propan - 1 - ol|(1R-(1alpha(R*),2beta,4Abeta,8aalpha))-2-hydroxy-alpha,2,5,5,8a-pentamethyl-alpha-vinyldecahydronaphthalene-1-propan-1-ol|[1R-[1alpha(R*),2beta,4abeta,8aalpha]]-2-hydroxy-alpha,2,5,5,8a-pentamethyl-alpha-vinyldecahydronaphthalene-1-propan-1-ol|1-Naphthalenepropanol, .alpha.-ethenyldecahydro-2-hydroxy-.alpha.,2,5,5,8a-pentamethyl-, [1R-[1.alpha.(R*),2.beta.,4a.beta.,8a.alpha.]]-|1-Naphthalenepropanol, alpha-ethenyldecahydro-2-hydroxy-alpha,2,5,5,8a-pentamethyl-, (alphaR,1R,2R,4aS,8aS)-|AKOS001581351|AKOS021610537|CCG-202807|(1R,2R,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol|LS-94812|(1R)-1beta-[(R)-3-Methyl-3-hydroxy-4-pentenyl]-2beta,5,5,8abeta-tetramethyldecalin-2alpha-ol |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.560 |
| Log Po/w (XLOGP3) : 4.930 |
| Log Po/w (WLOGP) : 4.700 |
| Log Po/w (MLOGP) : 3.930 |
| Log Po/w (SILICOS-IT) : 4.640 |
| Consensus Log Po/w : 4.350 |