| Phytochemical Name : Taraxasterol |
| PCNDIDT0012 |
| Pubchem CID : 115250 |
| Molecular formula: C30H50O |
| Canonical SMILES : CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)O)C |
Synonymes : Taraxasterol|Isolactucerol|1059-14-9|anthesterin|Lactucerol|UNII-64SK2ERN9P|64SK2ERN9P|Saussurol|alpha-lactucerol|taraxasterin|CHEBI:9401|18alpha,19betaH-Urs-20(30)-en-3beta-ol|taraxast-20(30)-en-3beta-ol|Urs-20(30)-en-3-ol, (3beta,18alpha,19alpha)-|(3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol|18alpha,19alpha-urs-20(30)-en-3beta-ol|(3beta,18alpha,19alpha)-urs-20(30)-en-3-ol|Urs-20(30)-en-3-ol, (3.beta.,18.alpha.,19.alpha.)-|TARAXASTEROL [MI]|(3-beta,18-alpha,19-alpha)-Urs-20(30)-en-3-ol|.ALPHA.-LACTUCEROL|SCHEMBL222272|HY-N1178|AKOS016009424|LMPR0106180006|AC-31291|TARAXAST-20(30)-EN-3.BETA.-OL|CS-0016469|2-METHYL-5-(MORPHOLINOSULFONYL)-3-FUROICACID|Q27108380|(3.BETA.,18.ALPHA.,19.ALPHA.)-URS-20(30)-EN-3-OL |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.800 |
| Log Po/w (XLOGP3) : 9.130 |
| Log Po/w (WLOGP) : 8.020 |
| Log Po/w (MLOGP) : 6.920 |
| Log Po/w (SILICOS-IT) : 6.810 |
| Consensus Log Po/w : 7.140 |