5-Oxo-7,8,13,13b-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazoline-14(5H)-carbaldehyde
| Internal ID | cc7ca074-288a-4db6-aef9-2c015e7407d8 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaene-21-carbaldehyde |
| SMILES (Canonical) | C1CN2C(C3=C1C4=CC=CC=C4N3)N(C5=CC=CC=C5C2=O)C=O |
| SMILES (Isomeric) | C1CN2C(C3=C1C4=CC=CC=C4N3)N(C5=CC=CC=C5C2=O)C=O |
| InChI | InChI=1S/C19H15N3O2/c23-11-22-16-8-4-2-6-14(16)19(24)21-10-9-13-12-5-1-3-7-15(12)20-17(13)18(21)22/h1-8,11,18,20H,9-10H2 |
| InChI Key | JUVKOVVIBPSXTO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H15N3O2 |
| Molecular Weight | 317.30 g/mol |
| Exact Mass | 317.116426730 g/mol |
| Topological Polar Surface Area (TPSA) | 56.40 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 5-Oxo-7,8,13,13b-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazoline-14(5H)-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/5-oxo-781313b-tetrahydroindolo2334pyrido21-bquinazoline-145h-carbaldehyde.jpg "2D Structure of 5-Oxo-7,8,13,13b-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazoline-14(5H)-carbaldehyde")
| 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 | 98.87% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.45% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.20% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.77% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.27% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.14% | 98.75% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 91.81% | 88.56% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 91.56% | 92.98% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.19% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.88% | 99.23% |
| CHEMBL228 | P31645 | Serotonin transporter | 88.58% | 95.51% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 87.35% | 92.67% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.32% | 95.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.31% | 89.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.36% | 94.62% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.94% | 98.59% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.69% | 91.71% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 82.97% | 80.78% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 81.54% | 95.48% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.21% | 100.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.93% | 96.00% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 80.19% | 81.14% |
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.
| Tetradium ruticarpum |
| PubChem | 21587628 |
| LOTUS | LTS0212863 |
| wikiData | Q105135438 |