1,7-dihydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
| Internal ID | 8b63fea0-e25e-4814-9476-569433d61fd9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 1,7-dihydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one |
| SMILES (Canonical) | CC1C(=O)CC(C2C1(CCC3C2(CCC4(C3(C(CC5(C4CC(CC5)(C)C)C)O)C)C)C)C)O |
| SMILES (Isomeric) | CC1C(=O)CC(C2C1(CCC3C2(CCC4(C3(C(CC5(C4CC(CC5)(C)C)C)O)C)C)C)C)O |
| InChI | InChI=1S/C30H50O3/c1-18-19(31)15-20(32)24-27(18,5)10-9-21-28(24,6)13-14-29(7)22-16-25(2,3)11-12-26(22,4)17-23(33)30(21,29)8/h18,20-24,32-33H,9-17H2,1-8H3 |
| InChI Key | MRDDUSVQGYRDHU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O3 |
| Molecular Weight | 458.70 g/mol |
| Exact Mass | 458.37599545 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 7.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.59% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.16% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.80% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.40% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.27% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.04% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.01% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.74% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.55% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.42% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.81% | 92.94% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.43% | 96.77% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.21% | 96.43% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.53% | 94.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.23% | 93.03% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.43% | 97.05% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.56% | 95.38% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.49% | 94.78% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.28% | 95.89% |
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.
| Salacia beddomei |
| PubChem | 162941433 |
| LOTUS | LTS0077054 |
| wikiData | Q105170487 |