Natural Product (NP) Details

General Information of the NP (ID: NP4874)
Name
Saponin
Synonyms
Cyclamine; SAPONIN; 8047-15-2; NSC 104795; BRN 0078682; Cyclamin (saponin) (8CI); Olean-29-al, 13,28-epoxy-3-((O-beta-D-glucopyranosyl-(1-3)-O-(beta-D-xylopyranosyl-(1-2))-O-beta-D-glucopyranosyl-(1-4)-O-(beta-D-glucopyranosyl-(1-2))-alpha-L-arabinopyranosyl)oxy)-16-hydroxy-, (3-beta,16-alpha,20-beta)-; 4-18-00-01515 (Beilstein Handbook Reference); Oleanan-29-al, 13,28-epoxy-3-((O-beta-D-glucopyranosyl-(1-3)-O-(beta-D-xylopyranosyl-(1-2))-O-beta-D-glucopyranosyl-(1-4)-O-(beta-D-glucopyranosyl-(1-2))-alpha-L-arabinopyranosyl)oxy)-16-hydroxy-, (3beta,16alpha,20beta)- (9CI)
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Species Origin Panax ginseng ...     Click to Show/Hide
Panax ginseng
Kingdom: Viridiplantae
Phylum: Streptophyta
Class: Magnoliopsida
Order: Apiales
Family: Araliaceae
Genus: Panax
Species: Panax ginseng
Disease Hypertensive intracerebral hemorrhage [ICD-11: 8B00] Phase 4 [1]
Structure
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2D MOL

3D MOL

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Formula
C58H94O27
PubChem CID
198016
Canonical SMILES
CC1(C2CCC3(C(C2(CCC1OC4C(C(C(CO4)OC5C(C(C(CO5)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CCC91C3(CC(C2(C9CC(CC2)(C)C=O)CO1)O)C)C)C
InChI
1S/C58H94O27/c1-52(2)29-7-11-55(5)30(8-12-58-31-15-53(3,22-62)13-14-57(31,23-77-58)32(64)16-56(55,58)6)54(29,4)10-9-33(52)82-50-46(85-51-45(40(71)37(68)27(19-61)80-51)84-49-43(74)39(70)36(67)26(18-60)79-49)44(83-48-42(73)38(69)35(66)25(17-59)78-48)28(21-76-50)81-47-41(72)34(65)24(63)20-75-47/h22,24-51,59-61,63-74H,7-21,23H2,1-6H3/t24-,25-,26-,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+,53-,54+,55-,56+,57?,58?/m1/s1
InChIKey
MAEBCGDGGATMSC-OSHGGGOQSA-N
CAS Number
CAS 23643-76-7
Herb ID
HBIN043106
SymMap ID
SMIT01668
TCMSP ID
MOL010173
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP
          Synthetic lipid A      Vaccination     Click to Show/Hide the Molecular Data of This Drug
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Biological
                    Regulation		 Induction A diverse antibody response
                    In-vivo Model For murine challenge studies, 6 to 8-week-old female C57Bl/6 mice were challenged with 105 plaque forming units (PFU) of WNV via intraperitoneal injection of virus in 0.25 mL total volume.
                    Experimental
                    Result(s)		 A combination of TLR-4 agonist and saponin adjuvants increases antibody diversity and protective efficacy of a recombinant West Nile Virus antigen.
References
Reference 1 ClinicalTrials.gov (NCT02999048) Clinical Study on the Treatment of Hypertensive Intracerebral Hemorrhage With Panax Notoginseng Saponin
Reference 2 A combination of TLR-4 agonist and saponin adjuvants increases antibody diversity and protective efficacy of a recombinant West Nile Virus antigen. NPJ Vaccines. 2018 Sep 26;3:39.
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