ginsenoside Mc (CHEBI:77491)

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CHEBI:77491 - ginsenoside Mc

ChEBI ID	CHEBI:77491
ChEBI Name	ginsenoside Mc
Stars
Definition	A ginsenoside found in Panax notoginseng that is dammarane which is substituted by hydroxy groups at the 3β, 12β and 20 pro-S positions and in which the hydroxy group at position 20 has been converted to the corresponding α-L-arabinofuranosyl-β-D-glucopyranoside.
Last Modified	5 November 2019
Submitter	KAX
Downloads	Molfile

Formula	C41H70O12
Net Charge	0
Average Mass	754.999
Monoisotopic Mass	754.48673
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]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)CC[C@]21C
InChI	InChI=1S/C41H70O12/c1-21(2)10-9-14-41(8,53-36-34(49)32(47)31(46)25(52-36)20-50-35-33(48)30(45)24(19-42)51-35)22-11-16-40(7)29(22)23(43)18-27-38(5)15-13-28(44)37(3,4)26(38)12-17-39(27,40)6/h10,22-36,42-49H,9,11-20H2,1-8H3/t22-,23+,24-,25+,26-,27+,28-,29-,30-,31+,32-,33+,34+,35+,36-,38-,39+,40+,41-/m0/s1
InChIKey	CJFGBCWGOQRURQ-JFJIKBJRSA-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.

human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans.

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

Application:

antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	ginsenoside Mc (CHEBI:77491) has functional parent (20S)-protopanaxadiol (CHEBI:75950)
	ginsenoside Mc (CHEBI:77491) has parent hydride dammarane (CHEBI:36488)
	ginsenoside Mc (CHEBI:77491) has role antineoplastic agent (CHEBI:35610)
	ginsenoside Mc (CHEBI:77491) has role human xenobiotic metabolite (CHEBI:76967)
	ginsenoside Mc (CHEBI:77491) has role plant metabolite (CHEBI:76924)
	ginsenoside Mc (CHEBI:77491) is a 3β-hydroxy-4,4-dimethylsteroid (CHEBI:143563)
	ginsenoside Mc (CHEBI:77491) is a disaccharide derivative (CHEBI:63353)
	ginsenoside Mc (CHEBI:77491) is a ginsenoside (CHEBI:74978)
	ginsenoside Mc (CHEBI:77491) is a tetracyclic triterpenoid (CHEBI:26893)
	ginsenoside Mc (CHEBI:77491) is a β-D-glucoside (CHEBI:22798)

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

UniProt Name	Source
ginsenoside Mc	UniProt

Manual Xrefs	Databases
CPD-15454	MetaCyc
DE19681353	Patent
KR20060122577	Patent
WO9731013	Patent
US5919770	Patent

Registry Numbers	Sources
Reaxys:9834709	Reaxys

Citations