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CHEBI:67989 - ginsenoside Rb1

Default Structure
ChEBI IDCHEBI:67989
ChEBI Nameginsenoside Rb1
Stars
DefinitionA ginsenoside found in Panax ginseng and Panax japonicus var. major that is ginsenoside Rd in which the β-D-glucopyranoside group at position 20 is replaced by a β-D-glucopyranosyl-β-D-glucopyranoside group.
Last Modified22 January 2019
DownloadsMolfile
FormulaC54H92O23
Net Charge0
Average Mass1109.307
Monoisotopic Mass1108.60294
SMILES[H][C@]12C[C@@H](O)[C@]3([H])[C@@]([H])([C@](C)(CCC=C(C)C)O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]21C
InChIInChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/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-,51-,52+,53+,54-/m0/s1
InChIKeyGZYPWOGIYAIIPV-JBDTYSNRSA-N
Species of MetaboliteComponentSourceComments
Panax japonicus var. major (ncbitaxon:45211) root (BTO:0001188) PubMed (21417387) Ethanolic extract of dried and pulverized roots
Roles Classification
Chemical Role:
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
Biological Roles:
anti-obesity agent  Any substance which is used to reduce or control weight.
apoptosis inhibitor  Any substance that inhibits the process of apoptosis (programmed cell death) in multi-celled organisms.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
anti-inflammatory drug  A substance that reduces or suppresses inflammation.
ChEBI Ontology
Outgoing Relation(s)
ginsenoside Rb1 (CHEBI:67989) has functional parent ginsenoside Rd (CHEBI:67988)
ginsenoside Rb1 (CHEBI:67989) has role anti-inflammatory drug (CHEBI:35472)
ginsenoside Rb1 (CHEBI:67989) has role anti-obesity agent (CHEBI:74518)
ginsenoside Rb1 (CHEBI:67989) has role apoptosis inhibitor (CHEBI:68494)
ginsenoside Rb1 (CHEBI:67989) has role neuroprotective agent (CHEBI:63726)
ginsenoside Rb1 (CHEBI:67989) has role plant metabolite (CHEBI:76924)
ginsenoside Rb1 (CHEBI:67989) has role radical scavenger (CHEBI:48578)
ginsenoside Rb1 (CHEBI:67989) is a ginsenoside (CHEBI:74978)
ginsenoside Rb1 (CHEBI:67989) is a glycoside (CHEBI:24400)
ginsenoside Rb1 (CHEBI:67989) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name 
(3β,12β)-20-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
Synonyms  Source
20(S)-ginsenoside Rb1ChEBI
2-O-β-glucopyranosyl-(3β,12β)-20-((6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy)-12-hydroxydammar-24-en-3-yl-β-D-glucopyranosideChemIDplus
(3β,12β)-20-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranosideChEBI
arasaponin E1ChemIDplus
GS-Rb1ChEBI
GSRb1ChEBI
UniProt Name  Source
(20S)-ginsenoside Rb1UniProt
Manual XrefsDatabases
CPD-9250MetaCyc
DB06749DrugBank
Registry NumbersSources
Reaxys:4901825Reaxys
CAS:41753-43-9ChemIDplus
Citations