2-[3-(Hydroxymethylidene)-4-oxo-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-2-yl]but-2-enal
| Internal ID | a95cd106-4c4d-42be-bdd3-3ddd09d5c2b1 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 2-[3-(hydroxymethylidene)-4-oxo-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-2-yl]but-2-enal |
| SMILES (Canonical) | CC=C(C=O)C1CC2C3=C(CCN2C(=O)C1=CO)C4=CC=CC=C4N3 |
| SMILES (Isomeric) | CC=C(C=O)C1CC2C3=C(CCN2C(=O)C1=CO)C4=CC=CC=C4N3 |
| InChI | InChI=1S/C20H20N2O3/c1-2-12(10-23)15-9-18-19-14(13-5-3-4-6-17(13)21-19)7-8-22(18)20(25)16(15)11-24/h2-6,10-11,15,18,21,24H,7-9H2,1H3 |
| InChI Key | HUJVAYKPOUYFBT-UHFFFAOYSA-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) | 73.40 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 2-[3-(Hydroxymethylidene)-4-oxo-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-2-yl]but-2-enal](https://plantaedb.com/storage/docs/compounds/2023/11/2-3-hydroxymethylidene-4-oxo-12671212b-hexahydroindolo23-aquinolizin-2-ylbut-2-enal.jpg "2D Structure of 2-[3-(Hydroxymethylidene)-4-oxo-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-2-yl]but-2-enal")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.90% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.92% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.35% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.31% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.53% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.41% | 93.40% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.92% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.46% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.98% | 89.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 89.07% | 88.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.88% | 98.75% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 85.99% | 92.67% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.77% | 97.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.09% | 97.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.34% | 90.08% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.80% | 91.71% |
| CHEMBL228 | P31645 | Serotonin transporter | 80.92% | 95.51% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 80.47% | 95.48% |
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.
| Nauclea orientalis |
| PubChem | 162914631 |
| LOTUS | LTS0147636 |
| wikiData | Q105033817 |