(2R,15S,16S,18R)-15-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraen-2-ol
| Internal ID | 7f24fc16-67c3-400e-aa2a-aa1456ccc377 |
| Taxonomy | Alkaloids and derivatives > Quebrachamine alkaloids |
| IUPAC Name | (2R,15S,16S,18R)-15-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraen-2-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H24N2O2/c1-2-19-8-7-15-13(12-5-3-4-6-14(12)20-15)9-17(22)21(11-19)10-16-18(19)23-16/h3-6,16-18,20,22H,2,7-11H2,1H3/t16-,17-,18-,19+/m1/s1 |
| InChI Key | LBAZZAXPVRSTNA-MKXGPGLRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H24N2O2 |
| Molecular Weight | 312.40 g/mol |
| Exact Mass | 312.183778013 g/mol |
| Topological Polar Surface Area (TPSA) | 51.80 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (2R,15S,16S,18R)-15-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraen-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/07d73d60-878d-11ee-9f9c-f56760362032.jpg "2D Structure of (2R,15S,16S,18R)-15-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraen-2-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.02% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.21% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.45% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.09% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.78% | 97.25% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.06% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.84% | 95.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 91.71% | 98.59% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.92% | 97.09% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 88.43% | 88.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.98% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.46% | 85.14% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 84.46% | 95.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.19% | 97.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.39% | 94.08% |
| CHEMBL5028 | O14672 | ADAM10 | 83.37% | 97.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.47% | 98.75% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.13% | 94.66% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.82% | 91.71% |
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.
| Tabernaemontana divaricata |
| PubChem | 163186208 |
| LOTUS | LTS0072828 |
| wikiData | Q104888754 |