[15-(5-Ethyl-6-methylhept-6-en-2-yl)-7,12,16-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] octadeca-9,12-dienoate
| Internal ID | e235dad5-9c89-450e-ba67-8f912b2c6614 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | [15-(5-ethyl-6-methylhept-6-en-2-yl)-7,12,16-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] octadeca-9,12-dienoate |
| SMILES (Canonical) | CCCCCC=CCC=CCCCCCCCC(=O)OC1CCC23CC24CCC5(C(CCC5(C4CCC3C1C)C)C(C)CCC(CC)C(=C)C)C |
| SMILES (Isomeric) | CCCCCC=CCC=CCCCCCCCC(=O)OC1CCC23CC24CCC5(C(CCC5(C4CCC3C1C)C)C(C)CCC(CC)C(=C)C)C |
| InChI | InChI=1S/C49H82O2/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-45(50)51-43-31-33-48-36-49(48)35-34-46(7)41(38(5)26-27-40(10-2)37(3)4)30-32-47(46,8)44(49)29-28-42(48)39(43)6/h14-15,17-18,38-44H,3,9-13,16,19-36H2,1-2,4-8H3 |
| InChI Key | WEZSLOOEIPSGGK-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 | 17.90 |
| There are no found synonyms. |
![2D Structure of [15-(5-Ethyl-6-methylhept-6-en-2-yl)-7,12,16-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] octadeca-9,12-dienoate](https://plantaedb.com/storage/docs/compounds/2023/11/7d53cbe0-82d0-11ee-81fc-0798730e9b86.jpg "2D Structure of [15-(5-Ethyl-6-methylhept-6-en-2-yl)-7,12,16-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.82% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.79% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.18% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.28% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.12% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.69% | 97.25% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.53% | 92.86% |
| CHEMBL233 | P35372 | Mu opioid receptor | 94.48% | 97.93% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 94.41% | 85.94% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.04% | 97.79% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.19% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 92.97% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 92.11% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.05% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.71% | 94.45% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 91.01% | 95.17% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 88.22% | 96.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 87.75% | 91.24% |
| CHEMBL239 | Q07869 | Peroxisome proliferator-activated receptor alpha | 87.74% | 90.75% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.58% | 92.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.49% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.26% | 93.00% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 86.76% | 99.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.61% | 97.29% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.22% | 86.33% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 86.21% | 95.71% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.07% | 91.81% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.98% | 97.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.09% | 96.38% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.53% | 98.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.43% | 90.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.03% | 96.47% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.04% | 82.69% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.84% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.76% | 95.89% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 81.62% | 97.63% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.50% | 89.63% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 81.42% | 97.53% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.40% | 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.
| Goniophlebium mengtzeense |
| PubChem | 162897623 |
| LOTUS | LTS0241500 |
| wikiData | Q105303718 |