Coptisine
| Internal ID | 711bb928-a49b-4e3e-830e-4445c39da501 |
| Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
| IUPAC Name | 5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene |
| SMILES (Canonical) | C1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6 |
| SMILES (Isomeric) | C1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6 |
| InChI | InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1 |
| InChI Key | XYHOBCMEDLZUMP-UHFFFAOYSA-N |
| Popularity | 233 references in papers |
| Molecular Formula | C19H14NO4+ |
| Molecular Weight | 320.30 g/mol |
| Exact Mass | 320.09228293 g/mol |
| Topological Polar Surface Area (TPSA) | 40.80 Ų |
| XlogP | 3.50 |
| 3486-66-6 |
| Coptisin |
| Coptisine sulfate |
| 1198398-71-8 |
| UNII-0GCL71VN14 |
| 0GCL71VN14 |
| bis[methylenedioxy]protoberberine |
| CHEBI:67862 |
| YHL II |
| 7,8,13,13a-Tetradehydro-2,3-9,10-bis(methylenedioxy)berbinium |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.91% | 96.77% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.77% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.27% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 92.18% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.62% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.54% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.86% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.81% | 98.95% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 88.12% | 82.67% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 85.47% | 80.96% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.46% | 93.99% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.61% | 89.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.51% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.29% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.96% | 94.73% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.87% | 95.83% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 80.19% | 92.50% |
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.
| PubChem | 72322 |
| NPASS | NPC171409 |
| ChEMBL | CHEMBL362071 |
| LOTUS | LTS0151004 |
| wikiData | Q105361551 |