Coryximine
| Internal ID | 46335292-fa28-4961-bc24-94b6d917c7dd |
| Taxonomy | Organoheterocyclic compounds > Tetrahydroisoquinolines |
| IUPAC Name | 5-[[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]-1,3-benzodioxole-4-carboxylic acid |
| SMILES (Canonical) | CN1CCC2=CC3=C(C=C2C1CC4=C(C5=C(C=C4)OCO5)C(=O)O)OCO3 |
| SMILES (Isomeric) | CN1CCC2=CC3=C(C=C2[C@H]1CC4=C(C5=C(C=C4)OCO5)C(=O)O)OCO3 |
| InChI | InChI=1S/C20H19NO6/c1-21-5-4-11-7-16-17(26-9-25-16)8-13(11)14(21)6-12-2-3-15-19(27-10-24-15)18(12)20(22)23/h2-3,7-8,14H,4-6,9-10H2,1H3,(H,22,23)/t14-/m1/s1 |
| InChI Key | MVXPONFJJHYSIL-CQSZACIVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H19NO6 |
| Molecular Weight | 369.40 g/mol |
| Exact Mass | 369.12123733 g/mol |
| Topological Polar Surface Area (TPSA) | 77.50 Ų |
| XlogP | 0.70 |
| AKOS040763258 |
| 127460-61-1 |
| 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% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.23% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.85% | 96.77% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.46% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.52% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.47% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.34% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.38% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.00% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.81% | 92.62% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.50% | 90.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.99% | 90.00% |
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.
| There are no matching plants. |
| PubChem | 21582945 |
| LOTUS | LTS0213515 |
| wikiData | Q105173428 |