Capsicoside C1
Internal ID | b3f874ef-39d3-4e12-a85e-465011a69bdf |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides > Steroidal saponins |
IUPAC Name | 2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol |
SMILES (Canonical) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)O)O)O)O)C)C)C)OC1 |
SMILES (Isomeric) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)O)O)O)O)C)C)C)OC1 |
InChI | InChI=1S/C44H72O18/c1-18-7-10-44(56-16-18)19(2)30-27(62-44)12-23-21-6-5-20-11-26(24(47)13-43(20,4)22(21)8-9-42(23,30)3)57-40-35(53)33(51)37(29(15-46)59-40)60-41-36(54)38(32(50)28(14-45)58-41)61-39-34(52)31(49)25(48)17-55-39/h18-41,45-54H,5-17H2,1-4H3 |
InChI Key | VWAWMGXCAPZVKB-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C44H72O18 |
Molecular Weight | 889.00 g/mol |
Exact Mass | 888.47186544 g/mol |
Topological Polar Surface Area (TPSA) | 276.00 Ų |
XlogP | 0.20 |
There are no found synonyms. |
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 | 98.38% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.59% | 91.11% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 97.19% | 96.61% |
CHEMBL204 | P00734 | Thrombin | 95.55% | 96.01% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.78% | 97.09% |
CHEMBL233 | P35372 | Mu opioid receptor | 94.50% | 97.93% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 92.89% | 95.93% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 92.43% | 95.50% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.05% | 100.00% |
CHEMBL237 | P41145 | Kappa opioid receptor | 91.44% | 98.10% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.20% | 97.25% |
CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 90.17% | 97.86% |
CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.47% | 92.86% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.67% | 94.45% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.64% | 96.77% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.39% | 96.21% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.13% | 92.50% |
CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 86.76% | 95.58% |
CHEMBL259 | P32245 | Melanocortin receptor 4 | 86.17% | 95.38% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.83% | 97.28% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.63% | 86.92% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.61% | 96.38% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.54% | 100.00% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.71% | 92.94% |
CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.89% | 97.29% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.81% | 89.05% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.68% | 95.89% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.49% | 95.89% |
CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 82.72% | 100.00% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.79% | 95.83% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.67% | 86.33% |
CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 81.18% | 99.17% |
CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.05% | 93.18% |
CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.88% | 100.00% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.54% | 93.04% |
CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 80.27% | 95.36% |
CHEMBL5524 | Q99873 | Protein-arginine N-methyltransferase 1 | 80.19% | 96.67% |
CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.04% | 98.99% |
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.
Capsicum annuum |
PubChem | 157010103 |
LOTUS | LTS0046689 |
wikiData | Q105297975 |