| Phytochemical Name : alpha-Amyrin |
| PCNDIDA0075 |
| Pubchem CID : 73170 |
| Molecular formula: C30H50O |
| Canonical SMILES : CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C |
Synonymes : alpha-Amyrin|Viminalol|638-95-9|alpha-Amyrenol|alpha-Amyrine|Urs-12-en-3beta-ol|UNII-30ZAG40J8N|5alpha-urs-12-en-3beta-ol|(3beta)-urs-12-en-3-ol|30ZAG40J8N|CHEBI:10213|urs-12-ene-3beta-ol|AMYRIN, ALPHA-|EINECS 211-352-1|NSC 114787|CHEMBL455357|.alpha.-Amyrenol|a-amyrin|(3.beta.)-Urs-12-en-3-ol|Urs-12-en-3-ol, (3b)-|Urs-12-en-3-ol, (3beta)-|NSC-114787|(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol|4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol|alfa-Amyrin|Urs-12-en-3-ol, (3.beta.)-|amyrin, (3alpha)-isomer|alpha -Amyrin|A-amyrin with hplc|MFCD00016754|SCHEMBL377781|.ALPHA.-AMYRIN [MI]|3beta-HYDROXYURS-12-ENE|(3-beta)-Urs-12-en-3-ol|alpha-Amyrin, analytical standard|DTXSID701025612|EX-A6942|HY-N8423|3.BETA.-HYDROXYURS-12-ENE|BDBM50241956|NSC785140|AKOS024319514|LMPR0106170001|NSC-785140|CS-0144137|C08615|D85201|Q2501558|(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-Octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-eicosahydro-picen-3-ol|(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.770 |
| Log Po/w (XLOGP3) : 9.010 |
| Log Po/w (WLOGP) : 8.020 |
| Log Po/w (MLOGP) : 6.920 |
| Log Po/w (SILICOS-IT) : 6.520 |
| Consensus Log Po/w : 7.050 |