7,17,18-Trimethoxy-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,15,17,19-octaen-14-one
| Internal ID | bfe5229e-a0f2-494a-8edc-347cb6f32484 |
| Taxonomy | Organoheterocyclic compounds > Pyridopyrimidines |
| IUPAC Name | 7,17,18-trimethoxy-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,15,17,19-octaen-14-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H21N3O4/c1-24-17-11-19(29-4)18(28-3)10-15(17)22(26)25-8-7-13-14-9-12(27-2)5-6-16(14)23-20(13)21(24)25/h5-6,9-11H,7-8H2,1-4H3 |
| InChI Key | YVRHUSXQPBXELG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H21N3O4 |
| Molecular Weight | 391.40 g/mol |
| Exact Mass | 391.15320616 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of 7,17,18-Trimethoxy-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,15,17,19-octaen-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/9d5234d0-85cc-11ee-b3ce-5ddf9641bc2d.jpg "2D Structure of 7,17,18-Trimethoxy-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,15,17,19-octaen-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.71% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.65% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.24% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.16% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.14% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.98% | 93.40% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.80% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.78% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.64% | 95.89% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 88.25% | 93.65% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 86.79% | 95.12% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 84.16% | 91.00% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 82.81% | 94.00% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 81.45% | 96.47% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.41% | 95.53% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.76% | 99.23% |
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.
| Euxylophora paraensis |
| PubChem | 163009104 |
| LOTUS | LTS0047055 |
| wikiData | Q105365871 |