rutarin (CHEBI:69039)

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CHEBI:69039 - rutarin

ChEBI ID	CHEBI:69039
ChEBI Name	rutarin
Stars
Definition	A monosaccharide derivative that is β-D-glucopyranose in which the hydroxy group at position 1 is substituted by a [(2S)-2-(2-hydroxypropan-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-9-yl]oxy group. It is a natural product found in several plant species including Ruta graveolens and Citropsis articulata.
Secondary ChEBI ID	CHEBI:8921
Last Modified	5 December 2019
Downloads	Molfile

Formula	C20H24O10
Net Charge	0
Average Mass	424.402
Monoisotopic Mass	424.13695
SMILES	CC(C)(O)[C@@H]1Cc2cc3ccc(=O)oc3c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2O1
InChI	InChI=1S/C20H24O10/c1-20(2,26)11-6-9-5-8-3-4-12(22)29-16(8)18(17(9)28-11)30-19-15(25)14(24)13(23)10(7-21)27-19/h3-5,10-11,13-15,19,21,23-26H,6-7H2,1-2H3/t10-,11+,13-,14+,15-,19+/m1/s1
InChIKey	JWWFVRMFYKPZNE-VVIWCBLHSA-N

Species of Metabolite	Component	Source	Comments
Citropsis articulata (IPNI:771824-1)	root (BTO:0001188)	PubMed (21985060)	Previous component: root bark; Methanol extract of dried, powdered root bark.
Peucedanum praeruptorum (ncbitaxon:312531)	root (BTO:0001188)	PubMed (23477142)
Ruta graveolens (ncbitaxon:37565)	aerial part (BTO:0001658)	DOI (10.1016/j.fitote.2005.02.008)
Atalantia racemosa (ncbitaxon:159026)	aerial part (BTO:0001658)	DOI (10.1021/jf00089a050)

Roles Classification

Biological Roles:

antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria.

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

antiplasmodial drug An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria.

Application:

antiplasmodial drug An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria.

ChEBI Ontology

Outgoing Relation(s)
	rutarin (CHEBI:69039) has role antibacterial agent (CHEBI:33282)
	rutarin (CHEBI:69039) has role antiplasmodial drug (CHEBI:64915)
	rutarin (CHEBI:69039) has role plant metabolite (CHEBI:76924)
	rutarin (CHEBI:69039) is a monosaccharide derivative (CHEBI:63367)
	rutarin (CHEBI:69039) is a psoralens (CHEBI:26369)
	rutarin (CHEBI:69039) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
(2S)-2-(2-hydroxypropan-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-9-yl β-D-glucopyranoside

Synonyms	Source
9-(β-D-glucopyranosyloxy)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one	ChemIDplus
(2S)-2-(2-hydroxypropan-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-9-yl β-D-glucopyranoside	IUPAC
campesenin	HMDB

Manual Xrefs	Databases
C09309	KEGG COMPOUND
C00002496	KNApSAcK
HMDB0030884	HMDB
FDB002847	FooDB

Registry Numbers	Sources
CAS:20320-81-4	KEGG COMPOUND
CAS:20320-81-4	ChemIDplus

Citations