Cayaponoside B
| Internal ID | 97c6801e-3d29-4a42-b066-2d583f5d485e |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides |
| IUPAC Name | (8S,9R,13R,14S,16R,17R)-17-[(2R,4E)-2,3-dihydroxy-6-methylhepta-4,6-dien-2-yl]-3,16-dihydroxy-4,9,13,14-tetramethyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8,12,15,16,17-hexahydro-6H-cyclopenta[a]phenanthren-11-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H50O11/c1-16(2)8-11-24(38)35(7,44)30-20(37)13-32(4)23-10-9-18-17(3)26(40)21(12-19(18)34(23,6)25(39)14-33(30,32)5)45-31-29(43)28(42)27(41)22(15-36)46-31/h8,11-12,20,22-24,27-31,36-38,40-44H,1,9-10,13-15H2,2-7H3/b11-8+/t20-,22?,23+,24?,27?,28?,29?,30+,31?,32+,33-,34+,35+/m1/s1 |
| InChI Key | LGFDUXHZEFIFMU-BDZDJTEESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H50O11 |
| Molecular Weight | 646.80 g/mol |
| Exact Mass | 646.33531241 g/mol |
| Topological Polar Surface Area (TPSA) | 197.00 Ų |
| XlogP | 2.90 |
| Cayaponoside B |
| NSC-680108 |
| 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 | 99.84% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.68% | 85.14% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 97.89% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.91% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.32% | 92.94% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.08% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.97% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.76% | 89.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 93.00% | 96.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.62% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.07% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.51% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.33% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.97% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.45% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.24% | 97.25% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.18% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.27% | 91.07% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.17% | 94.73% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.91% | 93.18% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.82% | 99.17% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 85.71% | 95.64% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 84.58% | 96.39% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.64% | 82.38% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.49% | 91.24% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.00% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.82% | 94.00% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 82.79% | 92.50% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.57% | 91.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.43% | 93.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.74% | 92.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.54% | 96.95% |
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.
| Cayaponia tayuya |
| Fevillea trilobata |
| PubChem | 5468957 |
| LOTUS | LTS0058638 |
| wikiData | Q105151326 |