Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C59H96O26 |
Molecular Weight | 1221.3779 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 33 / 33 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]%10(O[C@@H]1[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@]34CCC(C)(C)C[C@@]3([H])C5=CC[C@]6([H])[C@@]7(C)CC[C@H](O[C@]8([H])OC[C@H](O)[C@H](O)[C@H]8O[C@]9([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@@](C)(CO)[C@]7([H])CC[C@@]6(C)[C@]5(C)CC4)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O
InChI
InChIKey=RYHDIBJJJRNDSX-MCGLQMIESA-N
InChI=1S/C59H96O26/c1-24-34(63)38(67)42(71)49(78-24)83-46-29(20-60)80-48(45(74)41(46)70)77-22-30-37(66)40(69)44(73)51(81-30)85-53(75)59-17-15-54(3,4)19-27(59)26-9-10-32-55(5)13-12-33(56(6,23-61)31(55)11-14-58(32,8)57(26,7)16-18-59)82-52-47(36(65)28(62)21-76-52)84-50-43(72)39(68)35(64)25(2)79-50/h9,24-25,27-52,60-74H,10-23H2,1-8H3/t24-,25-,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-,55-,56-,57+,58+,59-/m0/s1
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/23117333Curator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/21928370
Sources: https://www.ncbi.nlm.nih.gov/pubmed/23117333
Curator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/21928370
Kalopanaxsaponin B is the main component of stem bark of Kalopanax pictus Nakai (KP, family Araliaceae), which has been used for inflammation in Chinese traditional medicine. Kalopanaxsaponin B also exhibits pro-cognitive action in mouse models of memory deficit.
CNS Activity
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL3357 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23117333 |
|||
Target ID: CHEMBL220 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21928370 |
31.3 µM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
|||
Primary | Unknown Approved UseUnknown |
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/23117333
Mice were given an oral dose of kalopanaxsaponin B (5 mg/kg).
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/23117333
Mouse peritoneal macrophages were incubated with FITC-conjugated LPS (10 ug/ml) for 30 min in the presence of 5 or 10 uM of kalopanaxsaponin B at room temperature. Kalopanaxsaponin B inhibited the expression of TNF-alpha, IL-1beta, iNOS and COX-2 and inhibited activation of IRAK1, IKK-beta, NF-kappaB and MAP kinases (ERK, JNK, p-38).
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SUBSTANCE RECORD