[17-(5-Ethyl-6-methylhept-5-en-2-yl)-4,10,13,14-tetramethyl-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] octadeca-9,12-dienoate
| Internal ID | 61df0f44-81d0-4169-bb99-8abe405816f0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [17-(5-ethyl-6-methylhept-5-en-2-yl)-4,10,13,14-tetramethyl-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] octadeca-9,12-dienoate |
| SMILES (Canonical) | CCCCCC=CCC=CCCCCCCCC(=O)OC1CCC2(C(C1C)CCC3=C2CCC4(C3(CCC4C(C)CCC(=C(C)C)CC)C)C)C |
| SMILES (Isomeric) | CCCCCC=CCC=CCCCCCCCC(=O)OC1CCC2(C(C1C)CCC3=C2CCC4(C3(CCC4C(C)CCC(=C(C)C)CC)C)C)C |
| InChI | InChI=1S/C49H82O2/c1-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-46(50)51-45-33-34-47(7)42(39(45)6)29-30-44-43(47)32-36-48(8)41(31-35-49(44,48)9)38(5)27-28-40(11-2)37(3)4/h15-16,18-19,38-39,41-42,45H,10-14,17,20-36H2,1-9H3 |
| InChI Key | QOTWPJORJWNUHM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C49H82O2 |
| Molecular Weight | 703.20 g/mol |
| Exact Mass | 702.63148185 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 16.90 |
| There are no found synonyms. |
![2D Structure of [17-(5-Ethyl-6-methylhept-5-en-2-yl)-4,10,13,14-tetramethyl-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] octadeca-9,12-dienoate](https://plantaedb.com/storage/docs/compounds/2023/11/c3b8c9c0-8679-11ee-8b0c-9b08ea4f8292.jpg "2D Structure of [17-(5-Ethyl-6-methylhept-5-en-2-yl)-4,10,13,14-tetramethyl-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] octadeca-9,12-dienoate")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.27% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.88% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.53% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.51% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.69% | 90.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 93.37% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 93.22% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.04% | 92.86% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.02% | 93.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.95% | 97.79% |
| CHEMBL233 | P35372 | Mu opioid receptor | 91.81% | 97.93% |
| CHEMBL236 | P41143 | Delta opioid receptor | 89.62% | 99.35% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 89.24% | 95.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.59% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.37% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.71% | 97.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.61% | 92.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.58% | 86.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.65% | 89.63% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.20% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.76% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.51% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.00% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.70% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.59% | 89.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.26% | 94.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.26% | 95.56% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 83.21% | 85.94% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.28% | 91.24% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.24% | 94.23% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.11% | 95.89% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.76% | 95.71% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.71% | 94.08% |
| CHEMBL3238 | P23786 | Carnitine palmitoyltransferase 2 | 81.57% | 94.05% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.56% | 93.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.13% | 89.05% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.77% | 98.33% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.45% | 96.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.01% | 91.71% |
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.
| Goniophlebium mengtzeense |
| PubChem | 162889078 |
| LOTUS | LTS0193017 |
| wikiData | Q105225127 |