Methyl 2-methyl-5-propan-2-yl-7-azapentacyclo[10.5.1.01,6.02,9.015,18]octadec-12(18)-ene-16-carboxylate
| Internal ID | 88e5fef6-0bc0-44b4-8e48-21bbca61dbb4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | methyl 2-methyl-5-propan-2-yl-7-azapentacyclo[10.5.1.01,6.02,9.015,18]octadec-12(18)-ene-16-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H35NO2/c1-13(2)16-9-10-22(3)15-7-5-14-6-8-17-18(21(25)26-4)11-23(22,19(14)17)20(16)24-12-15/h13,15-18,20,24H,5-12H2,1-4H3 |
| InChI Key | ASJBAMFLUNNOSV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H35NO2 |
| Molecular Weight | 357.50 g/mol |
| Exact Mass | 357.266779359 g/mol |
| Topological Polar Surface Area (TPSA) | 38.30 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of Methyl 2-methyl-5-propan-2-yl-7-azapentacyclo[10.5.1.01,6.02,9.015,18]octadec-12(18)-ene-16-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/a6471800-8596-11ee-bc71-9bdc2fca9c3f.jpg "2D Structure of Methyl 2-methyl-5-propan-2-yl-7-azapentacyclo[10.5.1.01,6.02,9.015,18]octadec-12(18)-ene-16-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.25% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.74% | 96.09% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 95.15% | 95.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.71% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.64% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.31% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.69% | 96.38% |
| CHEMBL268 | P43235 | Cathepsin K | 88.60% | 96.85% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 87.53% | 85.31% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.62% | 98.10% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.55% | 91.19% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 85.46% | 94.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.40% | 92.88% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.78% | 98.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.36% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.19% | 94.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.07% | 90.71% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.36% | 96.61% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.56% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.39% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.06% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.37% | 96.47% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.31% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.18% | 97.14% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.02% | 85.14% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.86% | 98.03% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.74% | 92.86% |
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.
| Daphniphyllum calycinum |
| Daphniphyllum paxianum |
| PubChem | 73796628 |
| LOTUS | LTS0123285 |
| wikiData | Q104917872 |