[(1S,9S,10S,11R,17S)-12-(2-hydroxyethylidene)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-10-yl]methyl acetate
| Internal ID | 9b3270f4-156f-4fbf-816d-21418e47ee21 |
| Taxonomy | Alkaloids and derivatives > Strychnos alkaloids |
| IUPAC Name | [(1S,9S,10S,11R,17S)-12-(2-hydroxyethylidene)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-10-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H26N2O3/c1-13(25)26-12-16-15-10-19-21(7-8-23(19)11-14(15)6-9-24)17-4-2-3-5-18(17)22-20(16)21/h2-6,15-16,19-20,22,24H,7-12H2,1H3/t15-,16-,19-,20-,21+/m0/s1 |
| InChI Key | SVVUWLMWZYERKY-JPKZGUTDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H26N2O3 |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.19434270 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of [(1S,9S,10S,11R,17S)-12-(2-hydroxyethylidene)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-10-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/d429c690-8566-11ee-ab4f-9dc303117cac.jpg "2D Structure of [(1S,9S,10S,11R,17S)-12-(2-hydroxyethylidene)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-10-yl]methyl acetate")
| 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 | 99.30% | 96.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 95.14% | 94.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.41% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.97% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.36% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.63% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.12% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.82% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.45% | 82.69% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.90% | 90.00% |
| CHEMBL5028 | O14672 | ADAM10 | 85.38% | 97.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.35% | 94.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.68% | 86.33% |
| CHEMBL228 | P31645 | Serotonin transporter | 83.94% | 95.51% |
| CHEMBL238 | Q01959 | Dopamine transporter | 82.89% | 95.88% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.52% | 93.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.12% | 95.83% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.84% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.59% | 85.14% |
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.
| Strychnos henningsii |
| PubChem | 162936920 |
| LOTUS | LTS0070307 |
| wikiData | Q105262480 |