[(1S,2R,3R,4R)-5-cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[h]carbazol-4-yl] acetate
| Internal ID | 44312090-9c9b-47aa-a700-7313256d0a3e |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | [(1S,2R,3R,4R)-5-cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[h]carbazol-4-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1C2=C(C(C(C1(C)O)O)O)C3=C(N2C#N)C(=O)C4=C(C3=O)C=CC=C4O |
| SMILES (Isomeric) | CC(=O)O[C@@H]1C2=C([C@@H]([C@H]([C@@]1(C)O)O)O)C3=C(N2C#N)C(=O)C4=C(C3=O)C=CC=C4O |
| InChI | InChI=1S/C20H16N2O8/c1-7(23)30-19-14-12(17(27)18(28)20(19,2)29)11-13(22(14)6-21)16(26)10-8(15(11)25)4-3-5-9(10)24/h3-5,17-19,24,27-29H,1-2H3/t17-,18+,19+,20+/m0/s1 |
| InChI Key | SCLQHBRYNQYXBX-MTQWCTHYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H16N2O8 |
| Molecular Weight | 412.30 g/mol |
| Exact Mass | 412.09066547 g/mol |
| Topological Polar Surface Area (TPSA) | 170.00 Ų |
| XlogP | -0.10 |
| 120796-26-1 |
| DTXSID40153009 |
![2D Structure of [(1S,2R,3R,4R)-5-cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[h]carbazol-4-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4e57eca0-82fa-11ee-a3bb-31bac4dd25dd.jpg "2D Structure of [(1S,2R,3R,4R)-5-cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[h]carbazol-4-yl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.32% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.33% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.01% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.85% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.75% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.41% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.51% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.09% | 82.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.80% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.77% | 91.19% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.65% | 99.15% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 86.64% | 94.08% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.48% | 96.67% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.06% | 94.75% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.45% | 98.75% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.31% | 94.62% |
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.
| There are no matching plants. |
| PubChem | 129259 |
| LOTUS | LTS0191807 |
| wikiData | Q105250257 |