Dichotomide IX
| Internal ID | 318ba0f2-e207-4978-ae59-4004e1305513 |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | 1-acetyl-4-hydroxy-9H-pyrido[3,4-b]indole-3-carboxamide |
| SMILES (Canonical) | CC(=O)C1=NC(=C(C2=C1NC3=CC=CC=C32)O)C(=O)N |
| SMILES (Isomeric) | CC(=O)C1=NC(=C(C2=C1NC3=CC=CC=C32)O)C(=O)N |
| InChI | InChI=1S/C14H11N3O3/c1-6(18)10-11-9(13(19)12(17-10)14(15)20)7-4-2-3-5-8(7)16-11/h2-5,16,19H,1H3,(H2,15,20) |
| InChI Key | SHWLACKWPMLEKI-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C14H11N3O3 |
| Molecular Weight | 269.25 g/mol |
| Exact Mass | 269.08004122 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 1.70 |
| CHEBI:70217 |
| Q27138557 |
| 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 | 97.98% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.46% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.50% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.43% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.92% | 94.45% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 88.21% | 93.65% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.39% | 85.14% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 86.65% | 91.79% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 86.55% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.44% | 98.95% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 86.33% | 93.24% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 86.19% | 83.10% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 85.47% | 81.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.05% | 94.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 84.72% | 97.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.30% | 94.75% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 80.18% | 98.21% |
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 | 50906514 |
| LOTUS | LTS0092247 |
| wikiData | Q27138557 |