kopsiloscine A
Internal ID | ffffab4d-11f6-4555-830c-b44292b96adf |
Taxonomy | Alkaloids and derivatives > Aspidofractine alkaloids |
IUPAC Name | dimethyl (1S,9R,16R,21R)-17,18-dihydroxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7,14-tetraene-2,18-dicarboxylate |
SMILES (Canonical) | COC(=O)C1(C(C23CCC14C5(C2N(CC5)CC=C3)C6=CC=CC=C6N4C(=O)OC)O)O |
SMILES (Isomeric) | COC(=O)C1(C([C@@]23CC[C@]14[C@@]5([C@H]2N(CC5)CC=C3)C6=CC=CC=C6N4C(=O)OC)O)O |
InChI | InChI=1S/C23H26N2O6/c1-30-18(27)23(29)17(26)20-8-5-12-24-13-11-21(16(20)24)14-6-3-4-7-15(14)25(19(28)31-2)22(21,23)10-9-20/h3-8,16-17,26,29H,9-13H2,1-2H3/t16-,17?,20-,21+,22-,23?/m0/s1 |
InChI Key | HVUPNDMRYTUMME-KRBXGMSDSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C23H26N2O6 |
Molecular Weight | 426.50 g/mol |
Exact Mass | 426.17908655 g/mol |
Topological Polar Surface Area (TPSA) | 99.50 Ų |
XlogP | 1.40 |
CHEMBL403997 |
![2D Structure of kopsiloscine A 2D Structure of kopsiloscine A](https://plantaedb.com/storage/docs/compounds/2023/11/kopsiloscine-a.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 | 98.55% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.13% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.48% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 94.38% | 98.95% |
CHEMBL4208 | P20618 | Proteasome component C5 | 93.87% | 90.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.09% | 95.56% |
CHEMBL5028 | O14672 | ADAM10 | 88.72% | 97.50% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.27% | 86.33% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.29% | 97.14% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.42% | 100.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.26% | 94.45% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.75% | 99.23% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.89% | 95.89% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.48% | 91.07% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.36% | 94.08% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.36% | 82.69% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.18% | 94.62% |
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 | 44445380 |
LOTUS | LTS0168956 |
wikiData | Q105034442 |