Sarasinoside P
| Internal ID | a6f99a56-4c0b-4b83-9669-7eb6644123b8 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides |
| IUPAC Name | N-[(2S,3R,4R,5R,6R)-2-[(3R,4S,5R,6S)-5-[(2S,3R,4R,5S,6R)-3-acetamido-6-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[[(3S,5R,8R,10R,13R,14R,17R)-5,8-dihydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-1,2,3,6,7,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide |
| SMILES (Canonical) | CC(CC(=O)C=C(C)C)C1CCC2C1(CC=C3C2(CCC4(C3(CCC(C4(C)C)OC5C(C(C(CO5)OC6C(C(C(C(O6)CO)O)O)NC(=O)C)O)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)NC(=O)C)C)O)O)C |
| SMILES (Isomeric) | C[C@H](CC(=O)C=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC=C3[C@]2(CC[C@]4([C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)NC(=O)C)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)NC(=O)C)C)O)O)C |
| InChI | InChI=1S/C62H100N2O28/c1-25(2)18-29(70)19-26(3)30-10-11-36-59(30,8)14-12-37-60(9)15-13-38(58(6,7)62(60,82)17-16-61(36,37)81)90-57-51(45(75)35(24-84-57)89-53-39(63-27(4)68)46(76)41(71)31(20-65)85-53)91-54-40(64-28(5)69)47(77)44(74)34(88-54)23-83-56-52(49(79)43(73)33(22-67)87-56)92-55-50(80)48(78)42(72)32(21-66)86-55/h12,18,26,30-36,38-57,65-67,71-82H,10-11,13-17,19-24H2,1-9H3,(H,63,68)(H,64,69)/t26-,30-,31-,32-,33-,34-,35-,36-,38+,39-,40-,41+,42-,43-,44-,45+,46-,47-,48+,49+,50-,51-,52-,53+,54+,55+,56-,57+,59-,60-,61-,62+/m1/s1 |
| InChI Key | HKLUFUSCUCUTFG-SMASNXKJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C62H100N2O28 |
| Molecular Weight | 1321.50 g/mol |
| Exact Mass | 1320.64626054 g/mol |
| Topological Polar Surface Area (TPSA) | 471.00 Ų |
| XlogP | -3.70 |
| CHEMBL2071315 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.05% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.25% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.33% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.52% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.48% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.88% | 95.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.45% | 90.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.10% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.45% | 89.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 89.76% | 91.24% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.89% | 96.61% |
| CHEMBL5028 | O14672 | ADAM10 | 88.46% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.06% | 95.89% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.01% | 92.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.50% | 99.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.41% | 94.33% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.01% | 95.71% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.37% | 96.90% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.76% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.37% | 95.56% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.98% | 95.83% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.78% | 97.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.67% | 95.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.89% | 91.07% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.73% | 97.28% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.44% | 90.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.02% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.65% | 95.38% |
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.
| There are no matching plants. |
| PubChem | 60200533 |
| LOTUS | LTS0180145 |
| wikiData | Q105029730 |