kadsuphilactone A
Internal ID | 88cb7cc8-b3d0-440b-8665-1e9428dcb49d |
Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
IUPAC Name | [(1R,4R,6R,7R,10R,14S,17R)-6,10,15,15-tetramethyl-7-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-3,19-dioxo-16,20-dioxatetracyclo[12.6.0.01,17.06,10]icosan-4-yl] acetate |
SMILES (Canonical) | CC1=CCC(OC1=O)C(C)C2CCC3(C2(CC(C(=O)CC45C(CCC3)C(OC4CC(=O)O5)(C)C)OC(=O)C)C)C |
SMILES (Isomeric) | CC1=CC[C@@H](OC1=O)[C@@H](C)[C@H]2CC[C@@]3([C@@]2(C[C@H](C(=O)C[C@@]45[C@@H](CCC3)C(O[C@@H]4CC(=O)O5)(C)C)OC(=O)C)C)C |
InChI | InChI=1S/C32H46O8/c1-18-10-11-23(38-28(18)36)19(2)21-12-14-30(6)13-8-9-25-29(4,5)39-26-15-27(35)40-32(25,26)16-22(34)24(37-20(3)33)17-31(21,30)7/h10,19,21,23-26H,8-9,11-17H2,1-7H3/t19-,21+,23+,24+,25-,26+,30+,31+,32+/m0/s1 |
InChI Key | IEYGQBBBTJYWPM-ZYFNSNFLSA-N |
Popularity | 2 references in papers |
Molecular Formula | C32H46O8 |
Molecular Weight | 558.70 g/mol |
Exact Mass | 558.31926842 g/mol |
Topological Polar Surface Area (TPSA) | 105.00 Ų |
XlogP | 5.70 |
862589-85-3 |
kadsuphilactoneA |
CHEMBL506463 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.66% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 93.93% | 98.95% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.31% | 97.25% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.69% | 99.23% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.67% | 93.56% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.59% | 85.14% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 92.52% | 93.03% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.13% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.00% | 94.45% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.54% | 94.75% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.48% | 93.04% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.05% | 95.56% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.87% | 97.14% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.86% | 89.00% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.72% | 96.61% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.14% | 86.33% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.64% | 95.50% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.01% | 94.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.89% | 97.09% |
CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.25% | 96.39% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.21% | 95.89% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.08% | 92.62% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.14% | 100.00% |
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.
Kadsura coccinea |
PubChem | 44567838 |
LOTUS | LTS0170197 |
wikiData | Q105035149 |