Medinoside E
Internal ID | 28d36a2a-f18d-4491-ace6-6c6c5366aa22 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Triterpene glycosides > Triterpene saponins |
IUPAC Name | 5-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-[[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]oxane-2-carboxylic acid |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4C(C(C(OC4OC5CCC6(C(C5(C)CO)CCC7(C6CC=C8C7(CCC9(C8CC(CC9O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)CO)O)O)O)O)O |
SMILES (Isomeric) | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4C(C(C(OC4OC5CCC6(C(C5(C)CO)CCC7(C6CC=C8C7(CCC9(C8CC(CC9O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)CO)O)O)O)O)O |
InChI | InChI=1S/C54H88O23/c1-22-31(59)34(62)39(67)45(70-22)75-41-35(63)32(60)25(19-55)71-46(41)76-42-36(64)33(61)26(20-56)72-47(42)77-43-38(66)37(65)40(44(68)69)74-48(43)73-30-12-13-51(5)27(52(30,6)21-57)11-14-54(8)28(51)10-9-23-24-17-49(2,3)18-29(58)50(24,4)15-16-53(23,54)7/h9,22,24-43,45-48,55-67H,10-21H2,1-8H3,(H,68,69) |
InChI Key | MKVWMTXPXIMJMK-UHFFFAOYSA-N |
Popularity | 4 references in papers |
Molecular Formula | C54H88O23 |
Molecular Weight | 1105.30 g/mol |
Exact Mass | 1104.57163905 g/mol |
Topological Polar Surface Area (TPSA) | 374.00 Ų |
XlogP | 0.80 |
SCHEMBL14708542 |
![2D Structure of Medinoside E 2D Structure of Medinoside E](https://plantaedb.com/storage/docs/compounds/2023/11/medinoside-e.jpg)
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 |
---|---|---|---|---|
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 97.60% | 97.36% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.85% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.89% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.38% | 95.56% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 90.28% | 93.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.20% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.71% | 89.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.33% | 97.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.17% | 100.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.03% | 95.89% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.38% | 99.17% |
CHEMBL2581 | P07339 | Cathepsin D | 82.74% | 98.95% |
CHEMBL5028 | O14672 | ADAM10 | 81.99% | 97.50% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.73% | 90.17% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.54% | 97.25% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.25% | 91.07% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.11% | 95.50% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.04% | 92.50% |
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.
Medicago sativa |
PubChem | 73814680 |
LOTUS | LTS0030977 |
wikiData | Q105166263 |