| Phytochemical Name : Uvaol |
| PCNDIDU0014 |
| Pubchem CID : 92802 |
| Molecular formula: C30H50O2 |
| Canonical SMILES : CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)CO |
Synonymes : Uvaol|545-46-0|Urs-12-ene-3,28-diol|Urs-12-ene-3beta,28-diol|Urs-12-ene-3,28-diol, (3b)-|UNII-W599R31ROT|CHEMBL399873|W599R31ROT|CHEBI:67894|EINECS 208-888-3|(3beta)-Urs-12-ene-3,28-diol|NSC 159627|NSC-159627|Urs-12-ene-3,28-diol, (3.beta.)-|MFCD00009620|UVALOL|Uvaol (AS)|D09OWE|Uvaol, >=95%|(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol|SCHEMBL337913|BCBcMAP01_000233|3-beta,28-Dihydroxy-urs-12-ene|HY-N1109|3,28-DIHYDROXYURS-12-ENE|BDBM50218196|s9551|AKOS016036269|(3.beta.)-Urs-12-ene-3,28-diol|SMP1_000309|URS-12-EN-3.BETA.,28-DIOL|URS-12-ENE-3.BETA.,28-DIOL|AS-84026|Urs-12-ene-3,28-diol, (3.beta.)|3.BETA.,28-DIHYDROXYURS-12-ENE|CS-0016397|SR-05000002219|SR-05000002219-2|Q27136369|(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol|(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14bR)-8a-Hydroxymethyl-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-eicosahydro-picen-3-ol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.610 |
| Log Po/w (XLOGP3) : 7.420 |
| Log Po/w (WLOGP) : 7.000 |
| Log Po/w (MLOGP) : 6.000 |
| Log Po/w (SILICOS-IT) : 5.910 |
| Consensus Log Po/w : 6.190 |