(3R,6aR,6aR,6bR,8aR,12aS,14aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,6,6a,7,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol
| Internal ID | 8cf848e7-ccc0-434c-97d4-211ffabb51cc |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (3R,6aR,6aR,6bR,8aR,12aS,14aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,6,6a,7,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol |
| SMILES (Canonical) | CC1(CCC2(CCC3(C(C2C1)CCC4C3(CC=C5C4(CCC(C5(C)C)O)C)C)C)C)C |
| SMILES (Isomeric) | C[C@@]12CC[C@@]3([C@@H]([C@@H]1CC(CC2)(C)C)CC[C@H]4[C@]3(CC=C5[C@@]4(CC[C@H](C5(C)C)O)C)C)C |
| InChI | InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h11,20-21,23-24,31H,9-10,12-19H2,1-8H3/t20-,21+,23-,24-,27-,28+,29-,30-/m1/s1 |
| InChI Key | DXMBEEWPZJHWEY-QJEKVVCDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O |
| Molecular Weight | 426.70 g/mol |
| Exact Mass | 426.386166214 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 9.30 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.29% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.25% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.83% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.28% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.57% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.34% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.98% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.87% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.18% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.18% | 95.89% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 85.78% | 94.78% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.73% | 96.43% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.70% | 98.95% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Leucosceptrum canum |
| PubChem | 162970806 |
| LOTUS | LTS0141797 |
| wikiData | Q104991070 |