[17-(5-ethyl-6-methylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate
| Internal ID | 0f6bd91d-8bdf-4629-a83c-6f95c6057909 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Stigmastanes and derivatives |
| IUPAC Name | [17-(5-ethyl-6-methylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| 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/h37-40,42,44H,3,8-35H2,1-2,4-7H3 |
| InChI Key | QSVPSPFGOSRGHZ-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 | 17.70 |
| There are no found synonyms. |
![2D Structure of [17-(5-ethyl-6-methylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/36fc8f80-8340-11ee-8c09-13582f7f9951.jpg "2D Structure of [17-(5-ethyl-6-methylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.60% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.27% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.88% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.76% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.55% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.90% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.63% | 98.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.27% | 92.86% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 92.66% | 92.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 91.66% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.57% | 93.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.98% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.95% | 82.69% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.92% | 97.79% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 90.58% | 98.03% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.83% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.77% | 91.19% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 88.72% | 95.71% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 88.19% | 92.12% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.04% | 96.38% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.49% | 96.47% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 87.09% | 97.50% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.87% | 89.05% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 86.60% | 94.66% |
| CHEMBL233 | P35372 | Mu opioid receptor | 86.54% | 97.93% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.21% | 95.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 86.08% | 85.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.69% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.62% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.15% | 92.62% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.50% | 95.50% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.42% | 91.81% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.33% | 89.63% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 84.06% | 82.50% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.60% | 97.29% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.73% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.59% | 98.10% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.93% | 98.33% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 81.86% | 99.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.86% | 96.00% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.41% | 94.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.35% | 89.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.29% | 94.33% |
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.
| Cryptocoryne spiralis |
| PubChem | 162959432 |
| LOTUS | LTS0217838 |
| wikiData | Q105227429 |