Kopsimaline A
| Internal ID | ed1fd26d-e23b-49c6-bd4c-d79f6b7b374b |
| Taxonomy | Alkaloids and derivatives > Aspidofractine alkaloids |
| IUPAC Name | dimethyl (1R,2R,4S,9R,20S,21R,22R,25R)-21,22-dihydroxy-3,14,16-trioxa-6,19-diazaoctacyclo[18.2.2.11,6.02,4.09,20.010,18.013,17.09,25]pentacosa-10(18),11,13(17)-triene-19,21-dicarboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H26N2O9/c1-31-19(28)24(30)18(27)21-5-6-23(24)22(7-8-25(17(21)22)9-13-16(21)35-13)11-3-4-12-15(34-10-33-12)14(11)26(23)20(29)32-2/h3-4,13,16-18,27,30H,5-10H2,1-2H3/t13-,16-,17-,18+,21+,22+,23-,24+/m0/s1 |
| InChI Key | QWMLWRHZSYYKIR-JXFMMCSMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H26N2O9 |
| Molecular Weight | 486.50 g/mol |
| Exact Mass | 486.16383041 g/mol |
| Topological Polar Surface Area (TPSA) | 131.00 Ų |
| XlogP | 0.40 |
| CHEMBL402748 |
| 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 | 98.81% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.45% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.36% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.57% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.10% | 96.77% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.87% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.58% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.25% | 98.95% |
| CHEMBL5028 | O14672 | ADAM10 | 88.48% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.38% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.08% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.74% | 96.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.16% | 85.30% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.84% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.83% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.55% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.37% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.14% | 91.19% |
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 | 24770292 |
| LOTUS | LTS0076913 |
| wikiData | Q105229276 |