| Phytochemical Name : Lagochilin |
| PCNDIDL0010 |
| Pubchem CID : 7061097 |
| Molecular formula: C20H36O5 |
| Canonical SMILES : CC1CCC2C(C13CCC(O3)(CCO)CO)(CCC(C2(C)CO)O)C |
Synonymes : Lagochilin|23554-81-6|S62BXK5HES|(1R,2S,4aS,5R,5'S,6R,8aS)-5'-(2-hydroxyethyl)-1,5'-bis(hydroxymethyl)-1,4a,6-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-ol|131898-43-6|(1'R,2'R,4'As,5S,5'R,6'S,8'as)-decahydro-6'-hydroxy-5-(2-hydroxyethyl)-2',5',8'a-trimethylspiro(furan-2(3H),1'(2'H)-naphthalene)-5,5'-dimethanol|(2R,4'aalpha,5S)-3',4,4',4a',5,5',6',7',8',8a'-Decahydro-6'beta-hydroxy-5-(2-hydroxyethyl)-2'alpha,5',8'abeta-trimethylspiro[furan-2(3H),1'(2'H)-naphthalene]-5,5'alpha-dimethanol|Lagochillin|(2R,4'aalpha,5S)-3',4,4',4a',5,5',6',7',8',8a'-Decahydro-6'beta-hydroxy-5-(2-hydroxyethyl)-2'alpha,5',8'abeta-trimethylspiro(furan-2(3H),1'(2'H)-naphthalene)-5,5'alpha-dimethanol|UNII-S62BXK5HES|CHEMBL2165226|DTXSID30392905|CHEBI:167853|Labdane-3beta,15,16,18-tetrol, 9,13-epoxy-|Q13553949|LABDANE-3.BETA.,15,16,18-TETROL, 9,13-EPOXY-|(2R,4'A.ALPHA.,5S)-3',4,4',4A',5,5',6',7',8',8A'-DECAHYDRO-6'.BETA.-HYDROXY-5-(2-HYDROXYETHYL)-2'.ALPHA.,5',8'A.BETA.-TRIMETHYLSPIRO(FURAN-2(3H),1'(2'H)-NAPHTHALENE)-5,5'.ALPHA.-DIMETHANOL|SPIRO(FURAN-2(3H),1'(2'H)-NAPHTHALENE)-5,5'-DIMETHANOL, DECAHYDRO-6'-HYDROXY-5-(2-HYDROXYETHYL)-2',5',8'A-TRIMETHYL-, (1'R-(1'.ALPHA.(S*),2'.ALPHA.,4'A.ALPHA.,5'.ALPHA.,6'.BETA.,8'A.BETA.))-|Spiro(furan-2(3H),1'(2'H)-naphthalene)-5,5'-dimethanol, decahydro-6'-hydroxy-5-(2-hydroxyethyl)-2',5',8'a-trimethyl-, (1'R-(1'alpha(S*),2'alpha,4'aalpha,5'alpha,6'beta,8'abeta))- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.640 |
| Log Po/w (XLOGP3) : 2.090 |
| Log Po/w (WLOGP) : 1.850 |
| Log Po/w (MLOGP) : 1.510 |
| Log Po/w (SILICOS-IT) : 2.670 |
| Consensus Log Po/w : 2.150 |

