21-Methyl-1-(2-oxopropyl)-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
| Internal ID | e8fea58f-6c29-4995-96b0-6c979376ac4c |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 21-methyl-1-(2-oxopropyl)-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H21N3O2/c1-14(26)13-22-20-16(15-7-3-5-9-18(15)23-20)11-12-25(22)21(27)17-8-4-6-10-19(17)24(22)2/h3-10,23H,11-13H2,1-2H3 |
| InChI Key | LZVQOTYGODQXSK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H21N3O2 |
| Molecular Weight | 359.40 g/mol |
| Exact Mass | 359.16337692 g/mol |
| Topological Polar Surface Area (TPSA) | 56.40 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 21-Methyl-1-(2-oxopropyl)-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/23a0b220-83de-11ee-a72a-87a4ea847179.jpg "2D Structure of 21-Methyl-1-(2-oxopropyl)-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one")
| 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 | 98.68% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.41% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.94% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.02% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.30% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.43% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.22% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.83% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.27% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.03% | 98.75% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.56% | 98.59% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.15% | 91.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.00% | 90.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 85.60% | 95.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.25% | 86.33% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.92% | 96.67% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.56% | 88.56% |
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 | 163029990 |
| LOTUS | LTS0189186 |
| wikiData | Q105160163 |