methyl 7-oxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate
| Internal ID | 9975e992-fdb1-48ae-be5f-9bfab60dc3fb |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolecarboxylic acids and derivatives > Indolecarboxamides and derivatives |
| IUPAC Name | methyl 7-oxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate |
| SMILES (Canonical) | COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC4CC45C3=CC(=O)C6=C5C=C(N6)C(=O)OC)OC)OC |
| SMILES (Isomeric) | COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC4CC45C3=CC(=O)C6=C5C=C(N6)C(=O)OC)OC)OC |
| InChI | InChI=1S/C25H23N3O7/c1-32-17-6-11-5-14(26-19(11)22(34-3)21(17)33-2)23(30)28-10-12-9-25(12)13-7-15(24(31)35-4)27-20(13)16(29)8-18(25)28/h5-8,12,26-27H,9-10H2,1-4H3 |
| InChI Key | VQNATVDKACXKTF-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H23N3O7 |
| Molecular Weight | 477.50 g/mol |
| Exact Mass | 477.15360008 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 2.60 |
| SCHEMBL14669437 |
![2D Structure of methyl 7-oxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/cff392c0-85b0-11ee-8f81-13a7a2a430e5.jpg "2D Structure of methyl 7-oxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.53% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.91% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.01% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.19% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.33% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.01% | 98.95% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 88.90% | 92.98% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.84% | 93.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.60% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.45% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.86% | 99.17% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 85.93% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.33% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.22% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.44% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.25% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.95% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.79% | 97.25% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.08% | 93.99% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.96% | 98.59% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.69% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.53% | 93.40% |
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 | 9982462 |
| LOTUS | LTS0081393 |
| wikiData | Q104199691 |