3,8-Dihydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,12-tetraen-11-one
| Internal ID | 0ce1647d-4426-4ee9-92d8-9cf18a637eb5 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | 3,8-dihydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,12-tetraen-11-one |
| SMILES (Canonical) | CN1CCC23C1(CC(C4=C2C(=C(C=C4)OC)O)O)C(=O)C(=CC3)OC |
| SMILES (Isomeric) | CN1CCC23C1(CC(C4=C2C(=C(C=C4)OC)O)O)C(=O)C(=CC3)OC |
| InChI | InChI=1S/C19H23NO5/c1-20-9-8-18-7-6-14(25-3)17(23)19(18,20)10-12(21)11-4-5-13(24-2)16(22)15(11)18/h4-6,12,21-22H,7-10H2,1-3H3 |
| InChI Key | PJZJZJRRVXCUNC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H23NO5 |
| Molecular Weight | 345.40 g/mol |
| Exact Mass | 345.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of 3,8-Dihydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,12-tetraen-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/20d8bdd0-84aa-11ee-bb54-95817509127e.jpg "2D Structure of 3,8-Dihydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,12-tetraen-11-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 | 98.07% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.48% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.20% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.66% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.00% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.92% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.85% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.32% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.74% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.50% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.16% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.37% | 93.40% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.25% | 97.25% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.96% | 91.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.23% | 85.14% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.71% | 91.03% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.00% | 93.03% |
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.
| Stephania longa |
| PubChem | 73026119 |
| LOTUS | LTS0060314 |
| wikiData | Q105210244 |