(1S,13S,14S,15E)-15-ethylidene-13-methyl-11-aza-1-azoniapentacyclo[12.2.2.01,13.04,12.05,10]octadeca-4(12),5,7,9-tetraen-14-ol
| Internal ID | a7457642-c40e-452b-976b-fab1a357c181 |
| Taxonomy | Alkaloids and derivatives > Strychnos alkaloids |
| IUPAC Name | (1S,13S,14S,15E)-15-ethylidene-13-methyl-11-aza-1-azoniapentacyclo[12.2.2.01,13.04,12.05,10]octadeca-4(12),5,7,9-tetraen-14-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H23N2O/c1-3-13-12-21-10-8-15-14-6-4-5-7-16(14)20-17(15)18(21,2)19(13,22)9-11-21/h3-7,20,22H,8-12H2,1-2H3/q+1/b13-3+/t18-,19-,21-/m0/s1 |
| InChI Key | VJJNRBAFDPRZHQ-WUCFZAPSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H23N2O+ |
| Molecular Weight | 295.40 g/mol |
| Exact Mass | 295.181038361 g/mol |
| Topological Polar Surface Area (TPSA) | 36.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of (1S,13S,14S,15E)-15-ethylidene-13-methyl-11-aza-1-azoniapentacyclo[12.2.2.01,13.04,12.05,10]octadeca-4(12),5,7,9-tetraen-14-ol](https://plantaedb.com/storage/docs/compounds/2023/11/8ed254c0-870c-11ee-8689-579e8f17c1db.jpg "2D Structure of (1S,13S,14S,15E)-15-ethylidene-13-methyl-11-aza-1-azoniapentacyclo[12.2.2.01,13.04,12.05,10]octadeca-4(12),5,7,9-tetraen-14-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.63% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.48% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.87% | 94.45% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 91.58% | 88.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 91.26% | 94.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.21% | 93.99% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 90.01% | 91.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.47% | 98.75% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 88.87% | 94.23% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 88.75% | 94.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.72% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.08% | 96.09% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 85.89% | 85.49% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.35% | 91.49% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.53% | 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.
| Aspidosperma subincanum |
| PubChem | 101195648 |
| LOTUS | LTS0047862 |
| wikiData | Q105287293 |