(1R,15R,16R,17E)-17-ethylidene-15-(hydroxymethyl)-19-oxa-3,13-diazapentacyclo[14.3.1.01,13.02,10.04,9]icosa-2(10),4,6,8-tetraen-14-one
| Internal ID | 4b41daad-1071-4c03-845b-e487c57ed799 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | (1R,15R,16R,17E)-17-ethylidene-15-(hydroxymethyl)-19-oxa-3,13-diazapentacyclo[14.3.1.01,13.02,10.04,9]icosa-2(10),4,6,8-tetraen-14-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H22N2O3/c1-2-12-11-25-20-9-15(12)16(10-23)19(24)22(20)8-7-14-13-5-3-4-6-17(13)21-18(14)20/h2-6,15-16,21,23H,7-11H2,1H3/b12-2-/t15-,16-,20+/m0/s1 |
| InChI Key | KXRVCBUVJNQYRH-ZRTYVFEJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22N2O3 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.16304257 g/mol |
| Topological Polar Surface Area (TPSA) | 65.60 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of (1R,15R,16R,17E)-17-ethylidene-15-(hydroxymethyl)-19-oxa-3,13-diazapentacyclo[14.3.1.01,13.02,10.04,9]icosa-2(10),4,6,8-tetraen-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/b1cda5c0-853c-11ee-be80-4d93880b6676.jpg "2D Structure of (1R,15R,16R,17E)-17-ethylidene-15-(hydroxymethyl)-19-oxa-3,13-diazapentacyclo[14.3.1.01,13.02,10.04,9]icosa-2(10),4,6,8-tetraen-14-one")
| 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 | 98.55% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.32% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.17% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.09% | 96.09% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 94.77% | 88.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.77% | 85.14% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 92.38% | 98.59% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.99% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.31% | 89.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.67% | 90.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.06% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.27% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.02% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.13% | 100.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.39% | 91.71% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.78% | 95.83% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.76% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.23% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.22% | 93.99% |
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.
| There are no matching plants. |
| PubChem | 11809905 |
| LOTUS | LTS0124614 |
| wikiData | Q105147481 |