daucosterol (CHEBI:67554)

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CHEBI:67554 - daucosterol

ChEBI ID	CHEBI:67554
ChEBI Name	daucosterol
Stars
Definition	A steroid saponin that is sitosterol attached to a β-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has bee isolated from Panax japonicus var. major and Breynia fruticosa.
Last Modified	15 November 2019
Downloads	Molfile

Formula	C35H60O6
Net Charge	0
Average Mass	576.859
Monoisotopic Mass	576.43899
SMILES	[H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CC[C@@H](CC)C(C)C
InChI	InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
InChIKey	NPJICTMALKLTFW-OFUAXYCQSA-N

Wikipedia

Species of Metabolite	Component	Source	Comments
Breynia fruticosa (ncbitaxon:296042)	root (BTO:0001188)	PubMed (21428418)	90% Methanolic extract of air-dried, crushed roots
Citrus hystrix (ncbitaxon:170989)	exocarp (BTO:0000733)	PubMed (20964319)	The CH2Cl2 extract of dried and ground fruit peels
Cratoxylum cochinchinense (ncbitaxon:271749)	stem (BTO:0001300)	PubMed (21428375)	Methanolic extract of dried and ground stems
Ferula gumosa (ncbitaxon:371349)	root (BTO:0001188)	PubMed (20961138)	The plant powder was extracted with MeOH
Ficus mucuso (ncbitaxon:309328)	fruit (BTO:0000486)	PubMed (21619045)	Methanolic extract of air-dried and powdered figs(fruits)
Garcia parviflora (IPNI:107401-2)
	branch (BTO:0000148)	PubMed (20958014)	MeOH extract of air-dried, powdered branch and leaves
	leaf (BTO:0000713)	PubMed (20958014)	MeOH extract of air-dried, powdered branch and leaves
Melia toosendan (ncbitaxon:71608)	fruit (BTO:0000486)	PubMed (20961091)	95% ethanolic extract of dried fruits
Panax japonicus var. major (ncbitaxon:45211)	root (BTO:0001188)	PubMed (21417387)	Ethanolic extract of dried and pulverized roots
Rubia yunnanensis (IPNI:765385-1)	root (BTO:0001188)	PubMed (21973054)	Methanolic extract of air dried powdered roots.

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.

ChEBI Ontology

Outgoing Relation(s)
	daucosterol (CHEBI:67554) has functional parent sitosterol (CHEBI:27693)
	daucosterol (CHEBI:67554) has parent hydride stigmastane (CHEBI:26773)
	daucosterol (CHEBI:67554) has role plant metabolite (CHEBI:76924)
	daucosterol (CHEBI:67554) is a monosaccharide derivative (CHEBI:63367)
	daucosterol (CHEBI:67554) is a steroid saponin (CHEBI:61655)
	daucosterol (CHEBI:67554) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
(3β)-stigmast-5-en-3-yl β-D-glucopyranoside

INNs	Source
sitogluside	ChemIDplus
sitoglusidum	ChemIDplus

Synonyms	Source
3-β-(β-D-glucopyranosyloxy)stigmast-5-ene	ChemIDplus
alexandrin	ChemIDplus
BSSG	ChemIDplus
coriandrinol	ChemIDplus
daucosterin	ChemIDplus
eleutheroside A	ChemIDplus

UniProt Name	Source
sitosteryl 3-β-D-glucoside	UniProt

Manual Xrefs	Databases
CPD-11608	MetaCyc
D05848	KEGG DRUG
Daucosterol	Wikipedia

Registry Numbers	Sources
Reaxys:100108	Reaxys
CAS:474-58-8	ChemIDplus

Citations