methyl (1S,9S,14E,15R,17S,18R)-14-ethylidene-2,12-diazapentacyclo[13.2.1.01,9.03,8.012,17]octadeca-3,5,7-triene-18-carboxylate
| Internal ID | 6122f0fb-11d8-4efe-9899-74cf39a2fb9a |
| Taxonomy | Alkaloids and derivatives > Strychnos alkaloids |
| IUPAC Name | methyl (1S,9S,14E,15R,17S,18R)-14-ethylidene-2,12-diazapentacyclo[13.2.1.01,9.03,8.012,17]octadeca-3,5,7-triene-18-carboxylate |
| SMILES (Canonical) | CC=C1CN2CCC3C4=CC=CC=C4NC35C2CC1C5C(=O)OC |
| SMILES (Isomeric) | C/C=C\1/CN2CC[C@H]3C4=CC=CC=C4N[C@@]35[C@@H]2C[C@@H]1[C@H]5C(=O)OC |
| InChI | InChI=1S/C20H24N2O2/c1-3-12-11-22-9-8-15-13-6-4-5-7-16(13)21-20(15)17(22)10-14(12)18(20)19(23)24-2/h3-7,14-15,17-18,21H,8-11H2,1-2H3/b12-3-/t14-,15-,17-,18-,20+/m0/s1 |
| InChI Key | LOOSNRNYCSXHDP-ZLVSHCOQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24N2O2 |
| Molecular Weight | 324.40 g/mol |
| Exact Mass | 324.183778013 g/mol |
| Topological Polar Surface Area (TPSA) | 41.60 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of methyl (1S,9S,14E,15R,17S,18R)-14-ethylidene-2,12-diazapentacyclo[13.2.1.01,9.03,8.012,17]octadeca-3,5,7-triene-18-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/6e18ee40-863f-11ee-90c7-53ff77937dea.jpg "2D Structure of methyl (1S,9S,14E,15R,17S,18R)-14-ethylidene-2,12-diazapentacyclo[13.2.1.01,9.03,8.012,17]octadeca-3,5,7-triene-18-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.91% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.61% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.50% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.58% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.06% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.43% | 93.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.96% | 85.14% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 87.29% | 95.83% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.04% | 91.11% |
| CHEMBL228 | P31645 | Serotonin transporter | 85.38% | 95.51% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.14% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.14% | 83.82% |
| CHEMBL5028 | O14672 | ADAM10 | 84.68% | 97.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.51% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.48% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.24% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.62% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.54% | 99.23% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.49% | 94.08% |
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.
| Kopsia fruticosa |
| Kopsia singapurensis |
| PubChem | 163186535 |
| LOTUS | LTS0081504 |
| wikiData | Q105154837 |