1-(1-Hydroxy-2-methoxy-7,11-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7,9,11-hexaen-12-yl)propan-2-one
| Internal ID | 5af01b51-ee12-44c5-b317-8f5907a4439e |
| Taxonomy | Organoheterocyclic compounds > Azepines |
| IUPAC Name | 1-(1-hydroxy-2-methoxy-7,11-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7,9,11-hexaen-12-yl)propan-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H14N2O3/c1-9(18)7-12-15(19)13(20-2)8-10-3-5-16-11(14(10)15)4-6-17-12/h3-6,8,19H,7H2,1-2H3 |
| InChI Key | NTGYOBWHYWASFI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H14N2O3 |
| Molecular Weight | 270.28 g/mol |
| Exact Mass | 270.10044231 g/mol |
| Topological Polar Surface Area (TPSA) | 71.80 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of 1-(1-Hydroxy-2-methoxy-7,11-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7,9,11-hexaen-12-yl)propan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/8c749c90-8585-11ee-bba1-db76dceb2d12.jpg "2D Structure of 1-(1-Hydroxy-2-methoxy-7,11-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7,9,11-hexaen-12-yl)propan-2-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.21% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.91% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.75% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.44% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.96% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.53% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.26% | 90.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.61% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.00% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.57% | 90.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.95% | 90.24% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 82.89% | 81.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.88% | 98.75% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.34% | 91.24% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.86% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.91% | 94.73% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.48% | 96.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.17% | 94.00% |
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 | 10707151 |
| LOTUS | LTS0059234 |
| wikiData | Q105185450 |