Kopsilongine
| Internal ID | 027c4a88-ba93-4ce2-93c7-861f464babaa |
| Taxonomy | Alkaloids and derivatives > Aspidofractine alkaloids |
| IUPAC Name | dimethyl (9R,18S,21S)-18-hydroxy-4-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-2,18-dicarboxylate |
| SMILES (Canonical) | COC1=CC=CC2=C1N(C34C25CCN6C5C(CCC6)(CC3)CC4(C(=O)OC)O)C(=O)OC |
| SMILES (Isomeric) | COC1=CC=CC2=C1N(C34[C@]25CCN6[C@H]5C(CCC6)(CC3)C[C@]4(C(=O)OC)O)C(=O)OC |
| InChI | InChI=1S/C24H30N2O6/c1-30-16-7-4-6-15-17(16)26(20(28)32-3)24-10-9-21(14-23(24,29)19(27)31-2)8-5-12-25-13-11-22(15,24)18(21)25/h4,6-7,18,29H,5,8-14H2,1-3H3/t18-,21?,22+,23+,24?/m0/s1 |
| InChI Key | JEKCMGKEQFMXCT-MGWNKOEUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H30N2O6 |
| Molecular Weight | 442.50 g/mol |
| Exact Mass | 442.21038668 g/mol |
| Topological Polar Surface Area (TPSA) | 88.50 Ų |
| XlogP | 1.90 |
| CHEMBL96596 |
| 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 | 98.87% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.53% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.13% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.44% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.85% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.83% | 90.00% |
| CHEMBL5028 | O14672 | ADAM10 | 89.76% | 97.50% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.53% | 93.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.37% | 98.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.03% | 91.11% |
| CHEMBL205 | P00918 | Carbonic anhydrase II | 83.87% | 98.44% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.75% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.15% | 97.14% |
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 dasyrachis |
| Kopsia griffithii |
| PubChem | 44326354 |
| LOTUS | LTS0151441 |
| wikiData | Q105126149 |