Methyl 2-methyl-20-oxo-3-oxa-6,16-diazapentacyclo[14.3.1.11,4.05,13.07,12]henicosa-5(13),7,9,11,18-pentaene-4-carboxylate
| Internal ID | 1740d0df-397b-455a-a523-a9349779a4a1 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | methyl 2-methyl-20-oxo-3-oxa-6,16-diazapentacyclo[14.3.1.11,4.05,13.07,12]henicosa-5(13),7,9,11,18-pentaene-4-carboxylate |
| SMILES (Canonical) | CC1C23CC(O1)(C4=C(CCN(C2=O)CC=C3)C5=CC=CC=C5N4)C(=O)OC |
| SMILES (Isomeric) | CC1C23CC(O1)(C4=C(CCN(C2=O)CC=C3)C5=CC=CC=C5N4)C(=O)OC |
| InChI | InChI=1S/C21H22N2O4/c1-13-20-9-5-10-23(18(20)24)11-8-15-14-6-3-4-7-16(14)22-17(15)21(12-20,27-13)19(25)26-2/h3-7,9,13,22H,8,10-12H2,1-2H3 |
| InChI Key | WLRVTLMRAAGZRT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22N2O4 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.15795719 g/mol |
| Topological Polar Surface Area (TPSA) | 71.60 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of Methyl 2-methyl-20-oxo-3-oxa-6,16-diazapentacyclo[14.3.1.11,4.05,13.07,12]henicosa-5(13),7,9,11,18-pentaene-4-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/24071850-85a0-11ee-aedc-39ff685b0a18.jpg "2D Structure of Methyl 2-methyl-20-oxo-3-oxa-6,16-diazapentacyclo[14.3.1.11,4.05,13.07,12]henicosa-5(13),7,9,11,18-pentaene-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.37% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.36% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.95% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.53% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.63% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.85% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.90% | 99.23% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.78% | 83.82% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.70% | 89.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 90.74% | 88.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.54% | 98.75% |
| CHEMBL5028 | O14672 | ADAM10 | 88.14% | 97.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.02% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.47% | 90.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.29% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.14% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.09% | 94.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.63% | 98.59% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.52% | 94.66% |
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 | 162987826 |
| LOTUS | LTS0238814 |
| wikiData | Q105194200 |