Asparagoside C
Internal ID | 8089f05c-5a8c-440a-8362-f93800c0aad3 |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides > Steroidal saponins |
IUPAC Name | 2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
SMILES (Canonical) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)C)OC1 |
SMILES (Isomeric) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)C)OC1 |
InChI | InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-33(46)34(30(43)27(16-41)50-36)51-35-32(45)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3 |
InChI Key | ZJCKMLSMXPLTKX-UHFFFAOYSA-N |
Popularity | 4 references in papers |
Molecular Formula | C39H64O13 |
Molecular Weight | 740.90 g/mol |
Exact Mass | 740.43469209 g/mol |
Topological Polar Surface Area (TPSA) | 197.00 Ų |
XlogP | 3.30 |
CHEBI:192050 |
2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
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 | 98.09% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.68% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.45% | 97.09% |
CHEMBL237 | P41145 | Kappa opioid receptor | 94.80% | 98.10% |
CHEMBL233 | P35372 | Mu opioid receptor | 93.35% | 97.93% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.77% | 94.45% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.69% | 100.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.27% | 97.25% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.96% | 96.21% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 89.95% | 89.05% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.41% | 95.50% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 88.44% | 92.50% |
CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.25% | 92.86% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.19% | 96.61% |
CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 87.53% | 97.86% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.21% | 92.94% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 84.88% | 95.93% |
CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 84.54% | 95.58% |
CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.26% | 97.50% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.24% | 95.89% |
CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 83.91% | 97.31% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.49% | 96.95% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.18% | 100.00% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.44% | 95.89% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.07% | 96.77% |
CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.74% | 98.99% |
CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 81.39% | 100.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.96% | 89.00% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.83% | 91.24% |
CHEMBL5524 | Q99873 | Protein-arginine N-methyltransferase 1 | 80.54% | 96.67% |
CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 80.15% | 95.36% |
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.
Agave utahensis |
Asparagus officinalis |
PubChem | 24833885 |
LOTUS | LTS0100777 |
wikiData | Q105377778 |