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:

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

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.

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
US5919770	Patent
WO9731013	Patent

Registry Numbers	Sources
Reaxys:9834709	Reaxys

Citations