Methyl 3-(1-methyl-14-propan-2-yl-12-azatetracyclo[8.6.0.02,13.03,7]hexadeca-3,11-dien-2-yl)propanoate
| Internal ID | 407ee488-6bff-4d7b-a791-0738cf896906 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | methyl 3-(1-methyl-14-propan-2-yl-12-azatetracyclo[8.6.0.02,13.03,7]hexadeca-3,11-dien-2-yl)propanoate |
| SMILES (Canonical) | CC(C)C1CCC2(C3CCC4CCC=C4C2(C1N=C3)CCC(=O)OC)C |
| SMILES (Isomeric) | CC(C)C1CCC2(C3CCC4CCC=C4C2(C1N=C3)CCC(=O)OC)C |
| InChI | InChI=1S/C23H35NO2/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/h7,14-18,21H,5-6,8-13H2,1-4H3 |
| InChI Key | CPDMKDOXBXJZGN-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) | 38.70 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of Methyl 3-(1-methyl-14-propan-2-yl-12-azatetracyclo[8.6.0.02,13.03,7]hexadeca-3,11-dien-2-yl)propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/941e8650-8686-11ee-802c-f7e7712b05c8.jpg "2D Structure of Methyl 3-(1-methyl-14-propan-2-yl-12-azatetracyclo[8.6.0.02,13.03,7]hexadeca-3,11-dien-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 | 99.25% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.55% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.92% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.56% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.07% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.24% | 96.77% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.18% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.09% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.48% | 97.09% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.15% | 95.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.68% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 82.73% | 97.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.73% | 91.07% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.70% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.33% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.46% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.35% | 97.25% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.04% | 96.90% |
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 subverticillatum |
| PubChem | 75034217 |
| LOTUS | LTS0120396 |
| wikiData | Q104967455 |