[17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate
| Internal ID | 22db10d7-d527-4fe2-8076-ba81a7a3b1dc |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)C=CC(CC)C(C)C)C)C |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)C=CC(CC)C(C)C)C)C |
| InChI | InChI=1S/C47H82O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-45(48)49-40-31-33-46(6)39(35-40)27-28-41-43-30-29-42(47(43,7)34-32-44(41)46)37(5)25-26-38(9-2)36(3)4/h25-27,36-38,40-44H,8-24,28-35H2,1-7H3 |
| InChI Key | OCCJRXYEZCKHHI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C47H82O2 |
| Molecular Weight | 679.20 g/mol |
| Exact Mass | 678.63148185 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 17.50 |
| There are no found synonyms. |
![2D Structure of [17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/5e66f5a0-8476-11ee-8d86-115634dd5179.jpg "2D Structure of [17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate")
| 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 | 99.35% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.54% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.15% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.40% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.81% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.52% | 99.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 95.07% | 98.03% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.71% | 92.86% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 93.66% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.09% | 93.56% |
| CHEMBL240 | Q12809 | HERG | 92.92% | 89.76% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 92.37% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 92.04% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.74% | 97.29% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.66% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.57% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.57% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.95% | 97.09% |
| CHEMBL236 | P41143 | Delta opioid receptor | 87.87% | 99.35% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.62% | 85.94% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 85.18% | 97.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.84% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.26% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.48% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.18% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.70% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 82.67% | 97.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.64% | 96.47% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.48% | 82.69% |
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.
| Drypetes gossweileri |
| PubChem | 73188074 |
| LOTUS | LTS0214057 |
| wikiData | Q105189286 |