ginsenoside Rg2 (CHEBI:77151)

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CHEBI:77151 - ginsenoside Rg2

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ChEBI ID	CHEBI:77151
ChEBI Name	ginsenoside Rg2
Stars
Definition	A ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3β, 6α, 12β and 20 pro-S positions, in which the hydroxy group at position 6 has been converted to the corresponding α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position.
Last Modified	5 November 2019
Submitter	KAX
Downloads	Molfile

Formula	C42H72O13
Net Charge	0
Average Mass	785.025
Monoisotopic Mass	784.49729
SMILES	[H][C@]12C[C@@H](O)[C@]3([H])[C@@]([H])([C@@](C)(O)CCC=C(C)C)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@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChI	InChI=1S/C42H72O13/c1-20(2)11-10-14-42(9,51)22-12-16-40(7)28(22)23(44)17-26-39(6)15-13-27(45)38(4,5)35(39)24(18-41(26,40)8)53-37-34(32(49)30(47)25(19-43)54-37)55-36-33(50)31(48)29(46)21(3)52-36/h11,21-37,43-51H,10,12-19H2,1-9H3/t21-,22-,23+,24-,25+,26+,27-,28-,29-,30+,31+,32-,33+,34+,35-,36-,37+,39+,40+,41+,42-/m0/s1
InChIKey	AGBCLJAHARWNLA-DQUQINEDSA-N

Roles Classification

Biological Roles:	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:	anticoagulant An agent that prevents blood clotting. cardioprotective agent Any protective agent that is able to prevent damage to the heart.

ChEBI Ontology

Outgoing Relation(s)
	ginsenoside Rg2 (CHEBI:77151) has parent hydride dammarane (CHEBI:36488)
	ginsenoside Rg2 (CHEBI:77151) has role anticoagulant (CHEBI:50249)
	ginsenoside Rg2 (CHEBI:77151) has role cardioprotective agent (CHEBI:77307)
	ginsenoside Rg2 (CHEBI:77151) has role plant metabolite (CHEBI:76924)
	ginsenoside Rg2 (CHEBI:77151) is a 12β-hydroxy steroid (CHEBI:36847)
	ginsenoside Rg2 (CHEBI:77151) is a 20-hydroxy steroid (CHEBI:36854)
	ginsenoside Rg2 (CHEBI:77151) is a 3β-hydroxy steroid (CHEBI:36836)
	ginsenoside Rg2 (CHEBI:77151) is a 3β-hydroxy-4,4-dimethylsteroid (CHEBI:143563)
	ginsenoside Rg2 (CHEBI:77151) is a disaccharide derivative (CHEBI:63353)
	ginsenoside Rg2 (CHEBI:77151) is a ginsenoside (CHEBI:74978)
	ginsenoside Rg2 (CHEBI:77151) is a tetracyclic triterpenoid (CHEBI:26893)
	ginsenoside Rg2 (CHEBI:77151) is a β-D-glucoside (CHEBI:22798)

IUPAC Names
(3β,6α,12β)-3,12,20-trihydroxydammar-24-en-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
(3β,6α,12β)-3,12,20-trihydroxydammar-24-en-6-yl 2-O-(α-L-rhamnopyranosyl)-β-D-glucopyranoside

Synonyms	Source
Chikusetsusaponin I	ChemIDplus
Prosapogenin C2	ChemIDplus
Ginsenoside C	HMDB

UniProt Name	Source
ginsenoside Rg2	UniProt

Manual Xrefs	Databases
CPD-15444	MetaCyc
HMDB0035395	HMDB

Registry Numbers	Sources
Beilstein:6627213	Beilstein
Reaxys:5720818	Reaxys
CAS:52286-74-5	ChemIDplus

Citations