3-Hydroxy-4,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one
| Internal ID | 53b4cd0c-ae81-4980-a9e8-95363771a2a6 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 3-hydroxy-4,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one |
| SMILES (Canonical) | COC1=C(C2=C(C=C1)C(=O)C3=NC=CC4=CC(=C(C2=C43)OC)OC)O |
| SMILES (Isomeric) | COC1=C(C2=C(C=C1)C(=O)C3=NC=CC4=CC(=C(C2=C43)OC)OC)O |
| InChI | InChI=1S/C19H15NO5/c1-23-11-5-4-10-14(18(11)22)15-13-9(6-7-20-16(13)17(10)21)8-12(24-2)19(15)25-3/h4-8,22H,1-3H3 |
| InChI Key | WTJKZXQHSLOUAC-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H15NO5 |
| Molecular Weight | 337.30 g/mol |
| Exact Mass | 337.09502258 g/mol |
| Topological Polar Surface Area (TPSA) | 77.90 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 3-Hydroxy-4,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/cad60e20-860b-11ee-91aa-bb4c82dc6965.jpg "2D Structure of 3-Hydroxy-4,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-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 |
|---|---|---|---|---|
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.72% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.32% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.17% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.16% | 89.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 93.07% | 96.67% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.93% | 85.14% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 91.60% | 94.42% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 89.88% | 95.12% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.09% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.70% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.29% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.27% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.55% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.99% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.89% | 94.75% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.74% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.07% | 99.17% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 82.71% | 96.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.31% | 91.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.16% | 95.56% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 81.47% | 92.98% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.46% | 94.03% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 81.39% | 96.47% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.05% | 90.71% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.90% | 96.09% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.53% | 100.00% |
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.
| Glaucium fimbrilligerum |
| Thalictrum flavum |
| PubChem | 135795277 |
| LOTUS | LTS0152606 |
| wikiData | Q104394352 |