Kopsimaline B
| Internal ID | 64c9b820-976e-4643-a458-e4ae318f8b6f |
| Taxonomy | Alkaloids and derivatives > Aspidofractine alkaloids |
| IUPAC Name | dimethyl (1R,2R,4S,9R,17S,18R,19R,22R)-14,18,19-trihydroxy-3-oxa-6,16-diazaheptacyclo[15.2.2.11,6.02,4.09,17.010,15.09,22]docosa-10(15),11,13-triene-16,18-dicarboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H26N2O8/c1-31-18(28)23(30)17(27)20-6-7-22(23)21(8-9-24(16(20)21)10-13-15(20)33-13)11-4-3-5-12(26)14(11)25(22)19(29)32-2/h3-5,13,15-17,26-27,30H,6-10H2,1-2H3/t13-,15-,16-,17+,20+,21+,22-,23+/m0/s1 |
| InChI Key | SNYWZYAYAZZSTH-XOVVLEAVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H26N2O8 |
| Molecular Weight | 458.50 g/mol |
| Exact Mass | 458.16891579 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | 0.20 |
| dimethyl (1R,2R,4S,9R,17S,18R,19R,22R)-14,18,19-trihydroxy-3-oxa-6,16-diazaheptacyclo(15.2.2.11,6.02,4.09,17.010,15.09,22)docosa-10(15),11,13-triene-16,18-dicarboxylate |
| dimethyl (1R,2R,4S,9R,17S,18R,19R,22R)-14,18,19-trihydroxy-3-oxa-6,16-diazaheptacyclo[15.2.2.11,6.02,4.09,17.010,15.09,22]docosa-10(15),11,13-triene-16,18-dicarboxylate |
| RefChem:151409 |
| 1005004-47-6 |
| CHEMBL255673 |
| 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 | 98.77% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.89% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.40% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.28% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.77% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.70% | 94.45% |
| CHEMBL5028 | O14672 | ADAM10 | 90.11% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.95% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.68% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.23% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.74% | 86.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.72% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.47% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.02% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.92% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.08% | 93.03% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.77% | 94.08% |
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.
| Kopsia singapurensis |
| PubChem | 24770293 |
| LOTUS | LTS0130282 |
| wikiData | Q105256769 |