Dichotomine E
Internal ID | 9dec97c9-42bd-47de-bb7c-78772537c0c6 |
Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
IUPAC Name | 1-oxo-2,9-dihydropyrido[3,4-b]indole-3-carboxylic acid |
SMILES (Canonical) | C1=CC=C2C(=C1)C3=C(N2)C(=O)NC(=C3)C(=O)O |
SMILES (Isomeric) | C1=CC=C2C(=C1)C3=C(N2)C(=O)NC(=C3)C(=O)O |
InChI | InChI=1S/C12H8N2O3/c15-11-10-7(5-9(14-11)12(16)17)6-3-1-2-4-8(6)13-10/h1-5,13H,(H,14,15)(H,16,17) |
InChI Key | BQURACGVTWIJNT-UHFFFAOYSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C12H8N2O3 |
Molecular Weight | 228.20 g/mol |
Exact Mass | 228.05349212 g/mol |
Topological Polar Surface Area (TPSA) | 82.20 Ų |
XlogP | 1.50 |
CHEBI:70223 |
Q27138563 |
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 | 94.62% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.24% | 95.56% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 91.22% | 94.62% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.44% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 87.57% | 98.95% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.08% | 99.23% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.61% | 91.71% |
CHEMBL1781 | P11387 | DNA topoisomerase I | 83.64% | 97.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.81% | 89.00% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.58% | 93.03% |
CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.33% | 95.56% |
CHEMBL255 | P29275 | Adenosine A2b receptor | 81.73% | 98.59% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.57% | 94.08% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 80.60% | 91.49% |
CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.12% | 94.23% |
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.
Stellaria dichotoma |
PubChem | 50906724 |
LOTUS | LTS0058726 |
wikiData | Q27138563 |