Coryternatine A
| Internal ID | 35d53920-6acb-45f8-95c6-d6041c03c736 |
| Taxonomy | Organoheterocyclic compounds > Tetrahydroisoquinolines |
| IUPAC Name | 5-[[(5S)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]-1,3-benzodioxole-4-carboxylic acid |
| SMILES (Canonical) | C1CNC(C2=CC3=C(C=C21)OCO3)CC4=C(C5=C(C=C4)OCO5)C(=O)O |
| SMILES (Isomeric) | C1CN[C@H](C2=CC3=C(C=C21)OCO3)CC4=C(C5=C(C=C4)OCO5)C(=O)O |
| InChI | InChI=1S/C19H17NO6/c21-19(22)17-11(1-2-14-18(17)26-9-23-14)5-13-12-7-16-15(24-8-25-16)6-10(12)3-4-20-13/h1-2,6-7,13,20H,3-5,8-9H2,(H,21,22)/t13-/m0/s1 |
| InChI Key | UZOSDBREZDOHGU-ZDUSSCGKSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H17NO6 |
| Molecular Weight | 355.30 g/mol |
| Exact Mass | 355.10558726 g/mol |
| Topological Polar Surface Area (TPSA) | 86.20 Ų |
| XlogP | 0.20 |
| CHEMBL1209457 |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.21% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.56% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.50% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.22% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.65% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.72% | 97.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.03% | 96.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.32% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.31% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.00% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.56% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.01% | 95.89% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 81.69% | 93.24% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.96% | 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.
| Corydalis ternata |
| PubChem | 46911013 |
| NPASS | NPC125924 |
| ChEMBL | CHEMBL1209457 |
| LOTUS | LTS0151076 |
| wikiData | Q105282377 |