Kopsoffinol
Internal ID | cfc185dd-ecfe-4797-a543-da2b0ecd6633 |
Taxonomy | Alkaloids and derivatives > Aspidofractine alkaloids |
IUPAC Name | methyl 6-[15-(1-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylate |
SMILES (Canonical) | CC(C12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)C6=CC7=C(C=C6)NC89C71CCN2C1C(CCC2)(CC8)CC9C(=O)OC)O |
SMILES (Isomeric) | CC(C12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)C6=CC7=C(C=C6)NC89C71CCN2C1C(CCC2)(CC8)CC9C(=O)OC)O |
InChI | InChI=1S/C40H48N4O3/c1-24(45)38-13-6-17-42-19-11-27-26-7-3-4-8-31(26)44(33(27)34(38)42)32(23-38)25-9-10-30-28(21-25)39-16-20-43-18-5-12-37(36(39)43)14-15-40(39,41-30)29(22-37)35(46)47-2/h3-4,7-10,21,24,29,32,34,36,41,45H,5-6,11-20,22-23H2,1-2H3 |
InChI Key | NKQJSTGACVZXMS-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C40H48N4O3 |
Molecular Weight | 632.80 g/mol |
Exact Mass | 632.37264141 g/mol |
Topological Polar Surface Area (TPSA) | 70.00 Ų |
XlogP | 5.10 |
96935-25-0 |
methyl 6-[15-(1-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylate |
(+)-Kopsoffinol |
DTXSID30914247 |
Methyl 15-(20-hydroxy-14,15-dihydroeburnamenin-14-yl)aspidofractinine-21-carboxylate |
![2D Structure of Kopsoffinol 2D Structure of Kopsoffinol](https://plantaedb.com/storage/docs/compounds/2023/11/kopsoffinol.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 |
---|---|---|---|---|
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.76% | 85.14% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.80% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.63% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.89% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 95.76% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.15% | 94.45% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 92.84% | 93.03% |
CHEMBL1914 | P06276 | Butyrylcholinesterase | 92.20% | 95.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.65% | 97.25% |
CHEMBL2535 | P11166 | Glucose transporter | 91.24% | 98.75% |
CHEMBL4208 | P20618 | Proteasome component C5 | 90.45% | 90.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.36% | 99.23% |
CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 88.78% | 89.44% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.72% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.91% | 86.33% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 86.70% | 95.83% |
CHEMBL5028 | O14672 | ADAM10 | 86.42% | 97.50% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.95% | 96.47% |
CHEMBL4302 | P08183 | P-glycoprotein 1 | 85.84% | 92.98% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.39% | 94.08% |
CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 84.91% | 90.95% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.23% | 90.71% |
CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 84.20% | 95.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.42% | 92.62% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.69% | 100.00% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.59% | 93.56% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.73% | 100.00% |
CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.61% | 97.50% |
CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 80.46% | 93.89% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.40% | 95.89% |
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.
Coreocarpus arizonicus |
Kopsia dasyrachis |
Kopsia pauciflora |
PubChem | 180723 |
LOTUS | LTS0190202 |
wikiData | Q105181634 |