Capsicoside B
| Internal ID | 8193e2f7-caee-4898-9b27-6c6b81765135 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides > Steroidal saponins |
| IUPAC Name | 2-[4-[16-[3,4-dihydroxy-5-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-hydroxy-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(CC(C(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)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)OC |
| SMILES (Isomeric) | CC1C2C(CC3C2(CCC4C3CCC5C4(CC(C(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)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)OC |
| InChI | InChI=1S/C58H98O30/c1-21(20-78-51-44(73)40(69)36(65)30(15-59)80-51)8-11-58(77-5)22(2)35-29(88-58)13-26-24-7-6-23-12-28(27(64)14-57(23,4)25(24)9-10-56(26,35)3)79-52-47(76)43(72)48(34(19-63)84-52)85-55-50(87-54-46(75)42(71)38(67)32(17-61)82-54)49(39(68)33(18-62)83-55)86-53-45(74)41(70)37(66)31(16-60)81-53/h21-55,59-76H,6-20H2,1-5H3 |
| InChI Key | XWRUXKJSSDFCCN-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C58H98O30 |
| Molecular Weight | 1275.40 g/mol |
| Exact Mass | 1274.61429170 g/mol |
| Topological Polar Surface Area (TPSA) | 475.00 Ų |
| XlogP | -3.50 |
| DTXSID301317712 |
| 160219-65-8 |
| 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 | 98.85% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.49% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 96.30% | 96.61% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 95.02% | 94.45% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 94.33% | 96.21% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 93.92% | 98.10% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.69% | 97.09% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 93.45% | 92.98% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.09% | 92.86% |
| CHEMBL204 | P00734 | Thrombin | 92.34% | 96.01% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.57% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.76% | 100.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 90.61% | 93.18% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.59% | 94.45% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 89.59% | 92.38% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.45% | 97.29% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 88.83% | 98.05% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.42% | 97.93% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 88.34% | 95.36% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.14% | 95.89% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 87.04% | 95.58% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.71% | 95.89% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.67% | 89.05% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.67% | 97.79% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 84.86% | 97.86% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.85% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.77% | 95.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.20% | 97.14% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.77% | 92.50% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.21% | 96.43% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.12% | 95.38% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.86% | 91.03% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.83% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.02% | 93.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.93% | 94.08% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 81.64% | 99.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.88% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.58% | 96.38% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.21% | 96.47% |
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 |
| Capsicum annuum |
| PubChem | 131752897 |
| LOTUS | LTS0236086 |
| wikiData | Q104403070 |