(7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-1-yl)methyl hexadecanoate
| Internal ID | 0c23bb47-96d0-4b04-8eeb-64d3e995ca5f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-1-yl)methyl hexadecanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC(=O)OCC1(CCCC2(C1CCC3=CC(CCC32)(C)C=C)C)C |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC(=O)OCC1(CCCC2(C1CCC3=CC(CCC32)(C)C=C)C)C |
| InChI | InChI=1S/C36H62O2/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-33(37)38-29-35(4)25-20-26-36(5)31-24-27-34(3,7-2)28-30(31)22-23-32(35)36/h7,28,31-32H,2,6,8-27,29H2,1,3-5H3 |
| InChI Key | OHTHYVMUIPPBMK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H62O2 |
| Molecular Weight | 526.90 g/mol |
| Exact Mass | 526.47498122 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 13.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.82% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.60% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.71% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.53% | 99.17% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 93.39% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.69% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 91.59% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.17% | 82.69% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.06% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.28% | 98.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.79% | 92.86% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 89.67% | 90.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.00% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.65% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.33% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.20% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.83% | 95.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.99% | 91.24% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.97% | 97.29% |
| CHEMBL240 | Q12809 | HERG | 84.80% | 89.76% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.36% | 97.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.51% | 93.56% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.48% | 98.03% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 82.26% | 85.94% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.67% | 92.62% |
| CHEMBL5028 | O14672 | ADAM10 | 81.41% | 97.50% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.29% | 95.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.90% | 97.79% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.45% | 92.94% |
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.
| Juniperus brevifolia |
| PubChem | 163091763 |
| LOTUS | LTS0070230 |
| wikiData | Q105192252 |