CHEBI:69039 - rutarin

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ChEBI Name rutarin
ChEBI ID CHEBI:69039
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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:8921
Supplier Information
Download Molfile XML SDF
Formula C20H24O10
Net Charge 0
Average Mass 424.402
Monoisotopic Mass 424.13695
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
SMILES [C@H]1(OC=2C=3O[C@H](C(C)(C)O)CC3C=C4C2OC(=O)C=C4)[C@@H]([C@H]([C@H](O)[C@H](O1)CO)O)O
Metabolite of Species Details
Citropsis articulata (IPNI:771824-1) Found in root (BTO:0001188). Previous component: root bark; Methanol extract of dried, powdered root bark. See: PubMed
Atalantia racemosa (NCBI:txid159026) Found in aerial part (BTO:0001658). See: DOI
Peucedanum praeruptorum (NCBI:txid312531) Found in root (BTO:0001188). See: PubMed
Ruta graveolens (NCBI:txid37565) Found in aerial part (BTO:0001658). See: DOI
Roles Classification
Biological Role(s): 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.
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 β-D-glucoside (CHEBI:22798)
rutarin (CHEBI:69039) is a monosaccharide derivative (CHEBI:63367)
rutarin (CHEBI:69039) is a psoralens (CHEBI:26369)
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 Sources
(2S)-2-(2-hydroxypropan-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-9-yl β-D-glucopyranoside IUPAC
9-(β-D-glucopyranosyloxy)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one ChemIDplus
campesenin HMDB
Manual Xrefs Databases
C00002496 KNApSAcK
C09309 KEGG COMPOUND
FDB002847 FooDB
HMDB0030884 HMDB
View more database links
Registry Numbers Types Sources
20320-81-4 CAS Registry Number KEGG COMPOUND
20320-81-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
17262257 PubMed citation Europe PMC
21985060 PubMed citation Europe PMC
23477142 PubMed citation Europe PMC
Last Modified
05 December 2019
General Comment
2019-12-05 .