Stephabyssine
| Internal ID | 92569b52-c67d-4006-9b82-b14f13da41d2 |
| Taxonomy | Alkaloids and derivatives > Hasubanan alkaloids |
| IUPAC Name | 3,11-dihydroxy-4-methoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-trien-12-one |
| SMILES (Canonical) | CN1CCC23C14CC(C5=C2C(=C(C=C5)OC)O)OC4(C(=O)CC3)O |
| SMILES (Isomeric) | CN1CCC23C14CC(C5=C2C(=C(C=C5)OC)O)OC4(C(=O)CC3)O |
| InChI | InChI=1S/C18H21NO5/c1-19-8-7-16-6-5-13(20)18(22)17(16,19)9-12(24-18)10-3-4-11(23-2)15(21)14(10)16/h3-4,12,21-22H,5-9H2,1-2H3 |
| InChI Key | ISILEFQFEYPRJE-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H21NO5 |
| Molecular Weight | 331.40 g/mol |
| Exact Mass | 331.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 0.40 |
| ISILEFQFEYPRJE-UHFFFAOYSA-N |
| 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 | 97.81% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.98% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.06% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.50% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.17% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.62% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.28% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.20% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.65% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.98% | 94.45% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.97% | 91.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.04% | 97.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.81% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.76% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.46% | 92.94% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.16% | 93.40% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 80.99% | 98.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.71% | 92.62% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.23% | 96.00% |
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.
| Stephania longa |
| PubChem | 615804 |
| LOTUS | LTS0074378 |
| wikiData | Q105119551 |