dimethyl (1R,9S,16R,19R,20S)-21-oxo-2,12-diazahexacyclo[10.6.2.19,16.01,9.03,8.016,20]henicosa-3,5,7-triene-2,19-dicarboxylate
| Internal ID | d3b40b6a-1d9c-42d5-ac93-ffb97080cd1a |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | dimethyl (1R,9S,16R,19R,20S)-21-oxo-2,12-diazahexacyclo[10.6.2.19,16.01,9.03,8.016,20]henicosa-3,5,7-triene-2,19-dicarboxylate |
| SMILES (Canonical) | COC(=O)C1C2C34CCCN2CCC5(C3=O)C1(CC4)N(C6=CC=CC=C56)C(=O)OC |
| SMILES (Isomeric) | COC(=O)[C@@H]1[C@H]2[C@]34CCCN2CC[C@@]5(C3=O)[C@]1(CC4)N(C6=CC=CC=C56)C(=O)OC |
| InChI | InChI=1S/C23H26N2O5/c1-29-18(26)16-17-21-8-5-12-24(17)13-11-22(19(21)27)14-6-3-4-7-15(14)25(20(28)30-2)23(16,22)10-9-21/h3-4,6-7,16-17H,5,8-13H2,1-2H3/t16-,17-,21+,22+,23+/m0/s1 |
| InChI Key | HDHSIDMPAOUGRJ-FIVLCTCKSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H26N2O5 |
| Molecular Weight | 410.50 g/mol |
| Exact Mass | 410.18417193 g/mol |
| Topological Polar Surface Area (TPSA) | 76.20 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of dimethyl (1R,9S,16R,19R,20S)-21-oxo-2,12-diazahexacyclo[10.6.2.19,16.01,9.03,8.016,20]henicosa-3,5,7-triene-2,19-dicarboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/df2e5620-8635-11ee-9cd7-21ee51fe6ffc.jpg "2D Structure of dimethyl (1R,9S,16R,19R,20S)-21-oxo-2,12-diazahexacyclo[10.6.2.19,16.01,9.03,8.016,20]henicosa-3,5,7-triene-2,19-dicarboxylate")
| 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 | 95.49% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 95.16% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.93% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.92% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.82% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.18% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.92% | 86.33% |
| CHEMBL5028 | O14672 | ADAM10 | 87.92% | 97.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.48% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.79% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.23% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.35% | 98.75% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 81.05% | 92.67% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.57% | 91.19% |
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.
| Kopsia arborea |
| PubChem | 163014698 |
| LOTUS | LTS0116229 |
| wikiData | Q105026355 |