Methyl 11-acetyloxy-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
| Internal ID | 39a49351-00e1-4616-94dc-b4959fb270ad |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | methyl 11-acetyloxy-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate |
| SMILES (Canonical) | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)OC(=O)C)C)C)C2C1(C)O)C)C(=O)OC |
| SMILES (Isomeric) | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)OC(=O)C)C)C)C2C1(C)O)C)C(=O)OC |
| InChI | InChI=1S/C33H52O6/c1-19-12-15-33(27(36)38-9)17-16-30(6)21(25(33)32(19,8)37)10-11-24-29(5)18-22(39-20(2)34)26(35)28(3,4)23(29)13-14-31(24,30)7/h10,19,22-26,35,37H,11-18H2,1-9H3 |
| InChI Key | WDLTZQAZOXFRGL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H52O6 |
| Molecular Weight | 544.80 g/mol |
| Exact Mass | 544.37638937 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 5.90 |
| 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 | 97.47% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.15% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 93.89% | 82.69% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.96% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.23% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.60% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.84% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.72% | 94.45% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.86% | 91.07% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.70% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.99% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.94% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.62% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.29% | 93.03% |
| CHEMBL4072 | P07858 | Cathepsin B | 81.69% | 93.67% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.11% | 96.90% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.01% | 97.25% |
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.
| Musanga cecropioides |
| Myrianthus arboreus |
| PubChem | 73744534 |
| LOTUS | LTS0206722 |
| wikiData | Q105302505 |