2-(3-Ethoxy-3-oxopropyl)indolo[2,3-a]quinolizine-3-carboxylic acid
| Internal ID | d44503c1-443d-4fca-8c1e-9d8dfb0f8ecd |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 2-(3-ethoxy-3-oxopropyl)indolo[2,3-a]quinolizine-3-carboxylic acid |
| SMILES (Canonical) | CCOC(=O)CCC1=CC2=C3C(=C4C=CC=CC4=N3)C=CN2C=C1C(=O)O |
| SMILES (Isomeric) | CCOC(=O)CCC1=CC2=C3C(=C4C=CC=CC4=N3)C=CN2C=C1C(=O)O |
| InChI | InChI=1S/C21H18N2O4/c1-2-27-19(24)8-7-13-11-18-20-15(14-5-3-4-6-17(14)22-20)9-10-23(18)12-16(13)21(25)26/h3-6,9-12H,2,7-8H2,1H3,(H,25,26) |
| InChI Key | CZBKZEBYQRSUMS-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H18N2O4 |
| Molecular Weight | 362.40 g/mol |
| Exact Mass | 362.12665706 g/mol |
| Topological Polar Surface Area (TPSA) | 81.40 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of 2-(3-Ethoxy-3-oxopropyl)indolo[2,3-a]quinolizine-3-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-3-ethoxy-3-oxopropylindolo23-aquinolizine-3-carboxylic-acid.jpg "2D Structure of 2-(3-Ethoxy-3-oxopropyl)indolo[2,3-a]quinolizine-3-carboxylic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.66% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.16% | 86.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.08% | 89.63% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.83% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.07% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.39% | 83.82% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.33% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.25% | 99.17% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 88.93% | 96.09% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 88.48% | 96.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.93% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.62% | 96.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 85.07% | 96.67% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.82% | 97.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.79% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.69% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.49% | 95.50% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 83.44% | 100.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 82.27% | 97.36% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 81.58% | 95.71% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.89% | 91.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.30% | 92.62% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.13% | 92.68% |
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.
| Gelsemium elegans |
| PubChem | 122181717 |
| LOTUS | LTS0150093 |
| wikiData | Q104972635 |