16,19-Secostrychnidine-10,16-dione, 21,22-epoxy-21,22-dihydro-14-hydroxy-4-methoxy-19-methyl-, (21alpha,22alpha)-
| Internal ID | c78b5e91-7943-4b43-8f73-d1ed0e147724 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | 23-hydroxy-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione |
| SMILES (Canonical) | CN1CCC23C4C5C(CC(=O)N4C6=C2C=CC=C6OC)OCC7C(C1)(C5(CC3=O)O)O7 |
| SMILES (Isomeric) | CN1CCC23C4C5C(CC(=O)N4C6=C2C=CC=C6OC)OCC7C(C1)(C5(CC3=O)O)O7 |
| InChI | InChI=1S/C23H26N2O6/c1-24-7-6-21-12-4-3-5-13(29-2)19(12)25-17(27)8-14-18(20(21)25)22(28,9-15(21)26)23(11-24)16(31-23)10-30-14/h3-5,14,16,18,20,28H,6-11H2,1-2H3 |
| InChI Key | HOLCZIHUDPIBPP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26N2O6 |
| Molecular Weight | 426.50 g/mol |
| Exact Mass | 426.17908655 g/mol |
| Topological Polar Surface Area (TPSA) | 91.80 Ų |
| XlogP | -1.00 |
| 16,19-Secostrychnidine-10,16-dione, 21,22-epoxy-21,22-dihydro-14-hydroxy-4-methoxy-19-methyl-, (21.alpha.,22.alpha.)- |
| 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 | 99.32% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.62% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.93% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.89% | 98.95% |
| CHEMBL204 | P00734 | Thrombin | 95.70% | 96.01% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.36% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.29% | 94.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 89.70% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.05% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.91% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.12% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.31% | 90.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.00% | 93.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.61% | 97.14% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.72% | 96.00% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 81.54% | 98.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.28% | 97.25% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.72% | 96.39% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.16% | 97.33% |
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.
| Strychnos icaja |
| PubChem | 634646 |
| LOTUS | LTS0218248 |
| wikiData | Q105031352 |