(4,4,6a,6b,8a,11,11,14a-Octamethyl-1,2,3,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl) 2-methylbutanoate
| Internal ID | be84de41-a824-4f01-88c6-3163e291cad0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (4,4,6a,6b,8a,11,11,14a-octamethyl-1,2,3,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl) 2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OC1CCC2C(=CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C1(C)C |
| SMILES (Isomeric) | CCC(C)C(=O)OC1CCC2C(=CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C1(C)C |
| InChI | InChI=1S/C35H58O2/c1-11-23(2)29(36)37-28-15-13-25-24(31(28,5)6)12-14-26-33(25,8)19-21-35(10)27-22-30(3,4)16-17-32(27,7)18-20-34(26,35)9/h12,23,25-28H,11,13-22H2,1-10H3 |
| InChI Key | UYOJBGTTZMKWKJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H58O2 |
| Molecular Weight | 510.80 g/mol |
| Exact Mass | 510.44368109 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 11.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.55% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.96% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.42% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.50% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.06% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.14% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.92% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.35% | 82.69% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.64% | 96.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.80% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.15% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.12% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.69% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.54% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.25% | 94.33% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.08% | 92.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.21% | 100.00% |
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.
| Euphorbia cyparissias |
| PubChem | 162909255 |
| LOTUS | LTS0079510 |
| wikiData | Q105281748 |