| Phytochemical Name : Lupeol |
| PCNDIDL0100 |
| Pubchem CID : 259846 |
| Molecular formula: C30H50O |
| Canonical SMILES : CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C |
Synonymes : Lupeol|545-47-1|Fagarasterol|Clerodol|Monogynol B|farganasterol|Fagarsterol|Lupenol|Triterpene lupeol|beta-Viscol|Lup-20(29)-en-3b-ol|.beta.-Viscol|UNII-O268W13H3O|Lup-20(29)-en-3beta-ol|CHEBI:6570|Lup-20(29)-en-3-ol, (3b)-|(+)-Lupeol|Lup-20(29)-en-3-ol, (3-beta)-|HSDB 7687|O268W13H3O|EINECS 208-889-9|NSC 90487|NSC-90487|(3-beta)-Lup-20(29)-en-3-ol|LUPEOL, (+)-|NSC90487|(3beta)-lup-20(29)-en-3-ol|(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol|Lup-20(29)-en-3-ol, (3.beta.)-|Lup-20(29)-en-3-ol|mono-gynol B|Lup-20(29)-en-3-beta-ol|Lup-20(29)-en-3.beta.-ol|Monogynol B (6CI)|Lup-20(29)-en-3-ol, (3beta)-|20(29)-Lupen-3beta-ol|MFCD00017351|LUPEOL [HSDB]|LUPEOL [INCI]|LUPEOL [MI]|Lupeol, >=94%|Lupeol, analytical standard|SCHEMBL148518|CHEMBL289191|3beta-lup-20(29)-en-3-ol|DTXSID901025006|HY-N0790|BDBM50377927|s3614|3beta-HYDROXYLUP-20(29)-ENE|AKOS016008524|CCG-268968|CS-7563|DB12622|DS-3391|LMPR0106130001|NCI60_042005|3.BETA.-HYDROXYLUP-20(29)-ENE|LUP-20(29)-EN-3-.BETA.-OL|(3b,13|I)-Lup-20(29)-en-3-ol|L0321|C08628|(3-.BETA.)-LUP-20(29)-EN-3-OL|Q409366|LUP-20(29)-EN-3-OL, (3-.BETA.)-|Q-100615|(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.680 |
| Log Po/w (XLOGP3) : 9.870 |
| Log Po/w (WLOGP) : 8.020 |
| Log Po/w (MLOGP) : 6.920 |
| Log Po/w (SILICOS-IT) : 6.820 |
| Consensus Log Po/w : 7.260 |