5-Ethylidene-4-methoxy-9-methyl-3-oxa-1,9-diazapentacyclo[10.6.1.12,6.08,19.013,18]icosa-12(19),13,15,17-tetraene
| Internal ID | b45e4672-7c3c-4b98-9cfe-a7315b9c04d9 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 5-ethylidene-4-methoxy-9-methyl-3-oxa-1,9-diazapentacyclo[10.6.1.12,6.08,19.013,18]icosa-12(19),13,15,17-tetraene |
| SMILES (Canonical) | CC=C1C2CC3C4=C(CCN3C)C5=CC=CC=C5N4C(C2)OC1OC |
| SMILES (Isomeric) | CC=C1C2CC3C4=C(CCN3C)C5=CC=CC=C5N4C(C2)OC1OC |
| InChI | InChI=1S/C21H26N2O2/c1-4-14-13-11-18-20-16(9-10-22(18)2)15-7-5-6-8-17(15)23(20)19(12-13)25-21(14)24-3/h4-8,13,18-19,21H,9-12H2,1-3H3 |
| InChI Key | JBSGCOASAIDQQP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26N2O2 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.199428076 g/mol |
| Topological Polar Surface Area (TPSA) | 26.60 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 5-Ethylidene-4-methoxy-9-methyl-3-oxa-1,9-diazapentacyclo[10.6.1.12,6.08,19.013,18]icosa-12(19),13,15,17-tetraene](https://plantaedb.com/storage/docs/compounds/2023/11/6f9d5890-86fa-11ee-8df7-2fea16da7e77.jpg "2D Structure of 5-Ethylidene-4-methoxy-9-methyl-3-oxa-1,9-diazapentacyclo[10.6.1.12,6.08,19.013,18]icosa-12(19),13,15,17-tetraene")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.32% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.95% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.43% | 93.40% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.60% | 97.25% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.69% | 93.99% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.44% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.86% | 91.49% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.81% | 93.65% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.37% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.05% | 89.00% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 84.01% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.72% | 97.14% |
| CHEMBL5028 | O14672 | ADAM10 | 81.78% | 97.50% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.13% | 91.00% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 81.06% | 92.38% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 80.55% | 89.44% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.30% | 95.89% |
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 dale |
| PubChem | 163087270 |
| LOTUS | LTS0098652 |
| wikiData | Q105124562 |