Kopsimaline C
Internal ID | 4d5501e4-c417-4f96-8dce-b8944a5cbb40 |
Taxonomy | Alkaloids and derivatives > Aspidofractine alkaloids |
IUPAC Name | dimethyl (1R,2R,4S,9R,17S,18R,19R,22R)-14,18,19-trihydroxy-13-methoxy-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) | COC1=C(C2=C(C=C1)C34CCN5C3C6(CCC4(N2C(=O)OC)C(C6O)(C(=O)OC)O)C7C(C5)O7)O |
SMILES (Isomeric) | COC1=C(C2=C(C=C1)[C@]34CCN5[C@H]3[C@@]6(CC[C@@]4(N2C(=O)OC)[C@@]([C@@H]6O)(C(=O)OC)O)[C@@H]7[C@H](C5)O7)O |
InChI | InChI=1S/C24H28N2O9/c1-32-12-5-4-11-14(15(12)27)26(20(30)34-3)23-7-6-21(18(28)24(23,31)19(29)33-2)16-13(35-16)10-25-9-8-22(11,23)17(21)25/h4-5,13,16-18,27-28,31H,6-10H2,1-3H3/t13-,16-,17-,18+,21+,22+,23-,24+/m0/s1 |
InChI Key | GXDHEFQHGXMJAL-JXFMMCSMSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C24H28N2O9 |
Molecular Weight | 488.50 g/mol |
Exact Mass | 488.17948047 g/mol |
Topological Polar Surface Area (TPSA) | 142.00 Ų |
XlogP | 0.20 |
CHEMBL402530 |
![2D Structure of Kopsimaline C 2D Structure of Kopsimaline C](https://plantaedb.com/storage/docs/compounds/2023/11/kopsimaline-c.jpg)
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 | 99.04% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.67% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.08% | 85.14% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.26% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.98% | 95.56% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.61% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 90.41% | 90.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.95% | 86.33% |
CHEMBL5028 | O14672 | ADAM10 | 86.86% | 97.50% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.94% | 96.00% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.78% | 89.62% |
CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.81% | 94.42% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.66% | 99.23% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.46% | 90.71% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.23% | 94.00% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.57% | 91.19% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.11% | 100.00% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.99% | 97.14% |
CHEMBL2581 | P07339 | Cathepsin D | 81.61% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.12% | 89.00% |
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.
Kopsia singapurensis |
PubChem | 24770357 |
LOTUS | LTS0194695 |
wikiData | Q105023013 |