ginsenoside Rg1 (CHEBI:67987)

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CHEBI:67987 - ginsenoside Rg1

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ChEBI ID	CHEBI:67987
ChEBI Name	ginsenoside Rg1
Stars
Definition	A ginsenoside found in Panax ginseng and Panax japonicus var. major that is dammarane which is substituted by hydroxy groups at the 3β, 6α, 12β and 20 pro-S positions, in which the hydroxy groups at positions 6 and 20 have been converted to the corresponding β-D-glucopyranosides, and in which a double bond has been introduced at the 24-25 position.
Secondary ChEBI ID	CHEBI:5361
Last Modified	5 November 2019
Downloads	Molfile

Formula	C42H72O14
Net Charge	0
Average Mass	801.024
Monoisotopic Mass	800.49221
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](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@]1(C)C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChI	InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42-/m0/s1
InChIKey	YURJSTAIMNSZAE-HHNZYBFYSA-N

Wikipedia

Species of Metabolite	Component	Source	Comments
Panax japonicus var. major (ncbitaxon:45211)	root (BTO:0001188)	PubMed (21417387)	Ethanolic extract of dried and pulverized roots

Roles Classification

Biological Role:	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:	pro-angiogenic agent Any compound that promotes the growth of new blood vessels from pre-existing vessels. neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders.

ChEBI Ontology

Outgoing Relation(s)
	ginsenoside Rg1 (CHEBI:67987) has parent hydride dammarane (CHEBI:36488)
	ginsenoside Rg1 (CHEBI:67987) has role neuroprotective agent (CHEBI:63726)
	ginsenoside Rg1 (CHEBI:67987) has role pro-angiogenic agent (CHEBI:72571)
	ginsenoside Rg1 (CHEBI:67987) is a 12β-hydroxy steroid (CHEBI:36847)
	ginsenoside Rg1 (CHEBI:67987) is a 3β-hydroxy-4,4-dimethylsteroid (CHEBI:143563)
	ginsenoside Rg1 (CHEBI:67987) is a ginsenoside (CHEBI:74978)
	ginsenoside Rg1 (CHEBI:67987) is a tetracyclic triterpenoid (CHEBI:26893)
	ginsenoside Rg1 (CHEBI:67987) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
(3β,α,12β)-20-(β-D-glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl β-D-glucopyranoside

Synonyms	Source
(3β,6α,12β)-3,12-dihydroxydammar-24-ene-6,20-diyl bis-β-D-glucopyranoside	ChemIDplus
Ginsenoside A2	ChemIDplus
Ginsenoside Rg1	KEGG COMPOUND
Panaxoside A	ChemIDplus
Panaxoside Rg1	ChemIDplus
Rg1	ChEBI

UniProt Name	Source
(20S)-ginsenoside Rg1	UniProt

Manual Xrefs	Databases
C00003520	KNApSAcK
C08946	KEGG COMPOUND
DB06750	DrugBank
Ginsenoside_Rg1#Rg1	Wikipedia
HMDB0035857	HMDB

Registry Numbers	Sources
CAS:22427-39-0	ChemIDplus
CAS:22427-39-0	KEGG COMPOUND

Citations