22-O-Methylcapsicoside G
| Internal ID | 03b84462-9da3-4b17-9a85-09611416b548 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides > Steroidal saponins |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)OC |
| SMILES (Isomeric) | C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)C)C)OC1(CC[C@@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC |
| InChI | InChI=1S/C64H108O34/c1-23(22-86-56-47(80)43(76)38(71)31(16-65)88-56)8-13-64(85-5)24(2)37-30(98-64)15-29-27-7-6-25-14-26(9-11-62(25,3)28(27)10-12-63(29,37)4)87-57-50(83)46(79)52(36(21-70)93-57)94-61-55(54(42(75)35(20-69)92-61)96-59-49(82)45(78)40(73)33(18-67)90-59)97-60-51(84)53(41(74)34(19-68)91-60)95-58-48(81)44(77)39(72)32(17-66)89-58/h23-61,65-84H,6-22H2,1-5H3/t23-,24+,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35-,36-,37+,38-,39-,40-,41-,42-,43+,44+,45+,46-,47-,48-,49-,50-,51-,52+,53+,54+,55-,56-,57-,58+,59+,60+,61+,62+,63+,64?/m1/s1 |
| InChI Key | BJACSFGCYREJOG-OBAOFOJISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C64H108O34 |
| Molecular Weight | 1421.50 g/mol |
| Exact Mass | 1420.6722005 g/mol |
| Topological Polar Surface Area (TPSA) | 534.00 Ų |
| XlogP | -4.10 |
| 22-O-METHYLCAPSICOSIDE G |
| 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 | 98.65% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.22% | 91.11% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 95.13% | 98.10% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.98% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.56% | 97.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 92.62% | 92.86% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.44% | 96.61% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 92.21% | 96.21% |
| CHEMBL233 | P35372 | Mu opioid receptor | 90.97% | 97.93% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.82% | 97.29% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 90.59% | 89.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.51% | 100.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 89.49% | 92.98% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 89.42% | 98.05% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 89.35% | 93.18% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 88.68% | 95.36% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.14% | 97.25% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 87.88% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.81% | 95.93% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 86.63% | 92.38% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 85.96% | 95.58% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.72% | 97.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.65% | 95.89% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 84.73% | 97.64% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.58% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.38% | 100.00% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 84.34% | 98.46% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.25% | 93.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.17% | 92.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.85% | 92.94% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.39% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.09% | 96.47% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 82.08% | 97.86% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.03% | 95.50% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 81.92% | 94.23% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.54% | 97.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.27% | 94.08% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.26% | 91.03% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.13% | 96.77% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.77% | 97.14% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 80.35% | 91.65% |
| CHEMBL4662 | P28074 | Proteasome Macropain subunit MB1 | 80.18% | 93.85% |
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 | 76323354 |
| LOTUS | LTS0197058 |
| wikiData | Q104936913 |