Capsicoside A1
| Internal ID | 9ec39d6e-feab-484f-8950-2b11b1949a9d |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides > Steroidal saponins |
| IUPAC Name | 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)oxyoxane-3,4,5-triol |
| SMILES (Canonical) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)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)O)O)O)O)C)C)C)OC1 |
| InChI | InChI=1S/C33H54O9/c1-16-7-10-33(39-15-16)17(2)26-24(42-33)12-21-19-6-5-18-11-23(40-30-29(38)28(37)27(36)25(14-34)41-30)22(35)13-32(18,4)20(19)8-9-31(21,26)3/h16-30,34-38H,5-15H2,1-4H3 |
| InChI Key | YTZASGUOZDZYSL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H54O9 |
| Molecular Weight | 594.80 g/mol |
| Exact Mass | 594.37678330 g/mol |
| Topological Polar Surface Area (TPSA) | 138.00 Ų |
| XlogP | 3.90 |
| 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 | 98.47% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.54% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.70% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.60% | 96.61% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 93.89% | 98.10% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 93.62% | 96.21% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.70% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.11% | 92.86% |
| CHEMBL204 | P00734 | Thrombin | 91.10% | 96.01% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.86% | 95.50% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 90.11% | 89.05% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.54% | 97.93% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 88.47% | 95.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.76% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.63% | 95.93% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 86.86% | 97.86% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.14% | 92.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.29% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.29% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.10% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.66% | 94.45% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.26% | 86.92% |
| CHEMBL5524 | Q99873 | Protein-arginine N-methyltransferase 1 | 82.34% | 96.67% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.12% | 100.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 81.55% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.41% | 92.94% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 81.18% | 100.00% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 80.91% | 100.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.83% | 97.28% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.82% | 95.83% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 80.81% | 95.36% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 80.24% | 97.31% |
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 |
| Hosta sieboldii |
| PubChem | 73800785 |
| LOTUS | LTS0152454 |
| wikiData | Q105362422 |