(3S,4R,4aS,6aS,6aR,6bR,8aR,12aR,14aS,14bR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol
| Internal ID | e862f0fb-e1a9-488d-a45f-c6c52f6a873c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (3S,4R,4aS,6aS,6aR,6bR,8aR,12aR,14aS,14bR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol |
| SMILES (Canonical) | CC1C(CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)O |
| SMILES (Isomeric) | C[C@H]1[C@H](CC[C@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@]4([C@@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C)C)O |
| InChI | InChI=1S/C30H52O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22-,23-,24+,26+,27+,28-,29+,30+/m0/s1 |
| InChI Key | XCDQFROEGGNAER-LFGDGORTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H52O |
| Molecular Weight | 428.70 g/mol |
| Exact Mass | 428.401816278 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 10.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.88% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.29% | 96.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.34% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.93% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.17% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.13% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.16% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.77% | 96.09% |
| CHEMBL204 | P00734 | Thrombin | 84.84% | 96.01% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.93% | 89.05% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.88% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.95% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.79% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.42% | 98.95% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 82.11% | 95.92% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.02% | 93.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.76% | 91.03% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.66% | 98.10% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.22% | 94.75% |
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.
| Clusia rosea |
| Quercus glauca |
| PubChem | 162967132 |
| LOTUS | LTS0117722 |
| wikiData | Q105324902 |