(1S,19Z,20S)-19-ethylidene-16-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one
| Internal ID | bcbf0fb3-d055-4d9d-9e3a-e938925a341e |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | (1S,19Z,20S)-19-ethylidene-16-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one |
| SMILES (Canonical) | CC=C1COC(=C2C1CC3C4=C(CCN3C2=O)C5=CC=CC=C5N4)O |
| SMILES (Isomeric) | C/C=C/1\COC(=C2[C@H]1C[C@H]3C4=C(CCN3C2=O)C5=CC=CC=C5N4)O |
| InChI | InChI=1S/C20H20N2O3/c1-2-11-10-25-20(24)17-14(11)9-16-18-13(7-8-22(16)19(17)23)12-5-3-4-6-15(12)21-18/h2-6,14,16,21,24H,7-10H2,1H3/b11-2+/t14-,16-/m0/s1 |
| InChI Key | OLFCHDJEYWIHFJ-ZBDMSPNQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20N2O3 |
| Molecular Weight | 336.40 g/mol |
| Exact Mass | 336.14739250 g/mol |
| Topological Polar Surface Area (TPSA) | 65.60 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (1S,19Z,20S)-19-ethylidene-16-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/9b943000-857e-11ee-8eb2-0304f378719a.jpg "2D Structure of (1S,19Z,20S)-19-ethylidene-16-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-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 | 98.24% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.69% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.45% | 91.49% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.98% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.88% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.06% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.54% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.64% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.43% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.37% | 93.99% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 87.86% | 88.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.27% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.98% | 85.14% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 85.71% | 85.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.56% | 83.82% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.27% | 98.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.96% | 100.00% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 83.77% | 95.48% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.06% | 90.08% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.61% | 98.59% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.99% | 91.71% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.04% | 96.39% |
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 | 12047480 |
| LOTUS | LTS0079557 |
| wikiData | Q105193943 |