(1S,9S,11S,12S,17S)-12-ethyl-10-methylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-triene
| Internal ID | 1172e54b-b655-4ad6-9bc0-c0e5e97e1c93 |
| Taxonomy | Alkaloids and derivatives > Strychnos alkaloids |
| IUPAC Name | (1S,9S,11S,12S,17S)-12-ethyl-10-methylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-triene |
| SMILES (Canonical) | CCC1CN2CCC34C2CC1C(=C)C3NC5=CC=CC=C45 |
| SMILES (Isomeric) | CC[C@@H]1CN2CC[C@@]34[C@@H]2C[C@@H]1C(=C)[C@@H]3NC5=CC=CC=C45 |
| InChI | InChI=1S/C19H24N2/c1-3-13-11-21-9-8-19-15-6-4-5-7-16(15)20-18(19)12(2)14(13)10-17(19)21/h4-7,13-14,17-18,20H,2-3,8-11H2,1H3/t13-,14-,17+,18+,19-/m1/s1 |
| InChI Key | MHEUHLQRJISMND-CSJNCLCHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H24N2 |
| Molecular Weight | 280.40 g/mol |
| Exact Mass | 280.193948774 g/mol |
| Topological Polar Surface Area (TPSA) | 15.30 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (1S,9S,11S,12S,17S)-12-ethyl-10-methylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-triene](https://plantaedb.com/storage/docs/compounds/2023/11/95419d80-872f-11ee-b0eb-41417a7a7357.jpg "2D Structure of (1S,9S,11S,12S,17S)-12-ethyl-10-methylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-triene")
| 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 | 98.41% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.02% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.80% | 97.25% |
| CHEMBL233 | P35372 | Mu opioid receptor | 92.97% | 97.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.91% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.23% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.33% | 82.69% |
| CHEMBL238 | Q01959 | Dopamine transporter | 88.35% | 95.88% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.79% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.69% | 94.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.50% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.77% | 95.56% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 83.27% | 93.81% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.72% | 94.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.76% | 86.33% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.43% | 99.35% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.09% | 94.75% |
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.
| Leuconotis griffithii |
| PubChem | 22213550 |
| LOTUS | LTS0078186 |
| wikiData | Q105163767 |