Clinoposaponin X
Internal ID | d7645582-8754-4d15-8962-cad76e930a7b |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Triterpene glycosides > Triterpene saponins |
IUPAC Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,4S,5R,13S,18S)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol |
SMILES (Canonical) | CC1(CCC23COC4(C2C1)C=CC5C6(CCC(C(C6CCC5(C4(CC3O)C)C)(C)CO)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)C)C |
SMILES (Isomeric) | C[C@]12CCC(C(C1CC[C@@]3(C2C=CC45[C@]3(C[C@H](C6([C@@H]4CC(CC6)(C)C)CO5)O)C)C)(C)CO)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)O)O)O |
InChI | InChI=1S/C42H68O14/c1-36(2)13-14-41-20-53-42(25(41)15-36)12-8-24-37(3)10-9-27(38(4,19-44)23(37)7-11-39(24,5)40(42,6)16-26(41)45)56-35-33(51)31(49)29(47)22(55-35)18-52-34-32(50)30(48)28(46)21(17-43)54-34/h8,12,21-35,43-51H,7,9-11,13-20H2,1-6H3/t21-,22-,23?,24?,25+,26-,27?,28-,29-,30+,31+,32-,33-,34-,35+,37+,38?,39-,40+,41?,42?/m1/s1 |
InChI Key | ACWRMVMYIHRKJI-RAWUFCCHSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C42H68O14 |
Molecular Weight | 797.00 g/mol |
Exact Mass | 796.46090684 g/mol |
Topological Polar Surface Area (TPSA) | 228.00 Ų |
XlogP | 1.50 |
159122-00-6 |
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,4S,5R,13S,18S)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol |
Saikogenin F 3-bentiobioside |
Saikogenin F 3-gentiobioside |
(+)-Clinoposaponin X |
DTXSID00936057 |
13,28-Epoxy-16(beta),23-dihydroxyolean-11-en-3-yl-beta-glucopyranosyl-1-6-glucopyranoside |
16,23-Dihydroxy-13,28-epoxyolean-11-en-3-yl 6-O-hexopyranosylhexopyranoside |
beta-D-Glucopyranoside, (3beta,4alpha,16beta)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl 6-O-beta-D-glucopyranosyl- |
![2D Structure of Clinoposaponin X 2D Structure of Clinoposaponin X](https://plantaedb.com/storage/docs/compounds/2023/11/clinoposaponin-x.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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.64% | 91.11% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 95.84% | 95.93% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.80% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.61% | 97.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.94% | 94.45% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.75% | 95.50% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.09% | 95.89% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 88.15% | 97.36% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.17% | 100.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.38% | 97.25% |
CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 85.17% | 97.47% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.89% | 92.62% |
CHEMBL1871 | P10275 | Androgen Receptor | 84.45% | 96.43% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.03% | 89.05% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.17% | 93.04% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.70% | 86.33% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.75% | 96.38% |
CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.36% | 95.38% |
CHEMBL2581 | P07339 | Cathepsin D | 80.01% | 98.95% |
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.
Clinopodium chinense |
Clinopodium vulgare |
PubChem | 3037619 |
LOTUS | LTS0249073 |
wikiData | Q82912195 |