kopsiloscine B
Internal ID | d3a0f062-b6ff-4b16-9f5e-dcfb8a02ecb7 |
Taxonomy | Alkaloids and derivatives > Aspidofractine alkaloids |
IUPAC Name | dimethyl (1S,9R,16S,17S,18R,21R)-17,18-dihydroxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-2,18-dicarboxylate |
SMILES (Canonical) | COC(=O)C1(C(C23CCCN4C2C5(C1(CC3)N(C6=CC=CC=C65)C(=O)OC)CC4)O)O |
SMILES (Isomeric) | COC(=O)[C@@]1([C@H]([C@]23CCCN4[C@@H]2[C@@]5([C@]1(CC3)N(C6=CC=CC=C65)C(=O)OC)CC4)O)O |
InChI | InChI=1S/C23H28N2O6/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/h3-4,6-7,16-17,26,29H,5,8-13H2,1-2H3/t16-,17-,20-,21+,22-,23+/m0/s1 |
InChI Key | GMLJERYGIGLLSG-NQBQLGQDSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C23H28N2O6 |
Molecular Weight | 428.50 g/mol |
Exact Mass | 428.19473662 g/mol |
Topological Polar Surface Area (TPSA) | 99.50 Ų |
XlogP | 1.50 |
CHEMBL253556 |
![2D Structure of kopsiloscine B 2D Structure of kopsiloscine B](https://plantaedb.com/storage/docs/compounds/2023/11/kopsiloscine-b.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 | 98.37% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.07% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 96.34% | 98.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.76% | 95.56% |
CHEMBL5028 | O14672 | ADAM10 | 90.91% | 97.50% |
CHEMBL4208 | P20618 | Proteasome component C5 | 90.28% | 90.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.69% | 94.45% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.03% | 100.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.41% | 86.33% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.17% | 93.03% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.02% | 94.08% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.04% | 95.89% |
CHEMBL2535 | P11166 | Glucose transporter | 82.00% | 98.75% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.88% | 99.23% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.58% | 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 singapurensis |
PubChem | 24178778 |
LOTUS | LTS0193666 |
wikiData | Q105012013 |