methyl 3-[(1S,2S,7R,10S,13S,14R)-1-methyl-14-propan-2-yl-12-azatetracyclo[8.6.0.02,13.03,7]hexadec-3-en-2-yl]propanoate
| Internal ID | 8fc718d6-b70a-4726-bb82-b5d8a02f019e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | methyl 3-[(1S,2S,7R,10S,13S,14R)-1-methyl-14-propan-2-yl-12-azatetracyclo[8.6.0.02,13.03,7]hexadec-3-en-2-yl]propanoate |
| SMILES (Canonical) | CC(C)C1CCC2(C3CCC4CCC=C4C2(C1NC3)CCC(=O)OC)C |
| SMILES (Isomeric) | CC(C)[C@H]1CC[C@]2([C@@H]3CC[C@H]4CCC=C4[C@]2([C@H]1NC3)CCC(=O)OC)C |
| InChI | InChI=1S/C23H37NO2/c1-15(2)18-10-12-22(3)17-9-8-16-6-5-7-19(16)23(22,21(18)24-14-17)13-11-20(25)26-4/h7,15-18,21,24H,5-6,8-14H2,1-4H3/t16-,17-,18-,21+,22+,23+/m1/s1 |
| InChI Key | WDKKUOYIQZUWGE-HBGFBWKXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H37NO2 |
| Molecular Weight | 359.50 g/mol |
| Exact Mass | 359.282429423 g/mol |
| Topological Polar Surface Area (TPSA) | 38.30 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of methyl 3-[(1S,2S,7R,10S,13S,14R)-1-methyl-14-propan-2-yl-12-azatetracyclo[8.6.0.02,13.03,7]hexadec-3-en-2-yl]propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/8db0ba80-8764-11ee-8849-71264c64930d.jpg "2D Structure of methyl 3-[(1S,2S,7R,10S,13S,14R)-1-methyl-14-propan-2-yl-12-azatetracyclo[8.6.0.02,13.03,7]hexadec-3-en-2-yl]propanoate")
| 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 | 99.15% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.90% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.23% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.86% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.88% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.39% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.82% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.55% | 97.25% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.86% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.87% | 90.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.36% | 95.71% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 85.93% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.89% | 91.07% |
| CHEMBL4072 | P07858 | Cathepsin B | 84.05% | 93.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.58% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.52% | 91.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.42% | 90.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.28% | 90.17% |
| CHEMBL5028 | O14672 | ADAM10 | 83.23% | 97.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.99% | 94.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.67% | 94.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.02% | 93.03% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.60% | 96.77% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.13% | 96.38% |
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 |
| PubChem | 162915704 |
| LOTUS | LTS0063370 |
| wikiData | Q105302475 |