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CHEBI:17965 - isoorientin

ChEBI IDCHEBI:17965
ChEBI Nameisoorientin
Stars
DefinitionA flavone C-glycoside consisting of luteolin having a β-D-glucosyl residue at the 6-position.
Secondary ChEBI IDsCHEBI:6034, CHEBI:14471, CHEBI:24905
Last Modified18 November 2016
DownloadsMolfile
FormulaC21H20O11
Net Charge0
Average Mass448.380
Monoisotopic Mass448.10056
SMILESO=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
InChIInChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1
InChIKeyODBRNZZJSYPIDI-VJXVFPJBSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Petrorhagia velutina (ncbitaxon:308175)
leaf (BTO:0000713) PubMed (21080643) Methanolic extract of dried leaf and root
root (BTO:0001188) PubMed (21080643) Methanolic extract of dried leaf and root
Sasa borealis (ncbitaxon:591242) - PubMed (21080643)
Roles Classification
Chemical Role:
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
isoorientin (CHEBI:17965) has functional parent luteolin (CHEBI:15864)
isoorientin (CHEBI:17965) has role antineoplastic agent (CHEBI:35610)
isoorientin (CHEBI:17965) has role radical scavenger (CHEBI:48578)
isoorientin (CHEBI:17965) is a flavone C-glycoside (CHEBI:83280)
isoorientin (CHEBI:17965) is a tetrahydroxyflavone (CHEBI:38684)
isoorientin (CHEBI:17965) is conjugate acid of isoorientin(1−) (CHEBI:58333)
Incoming Relation(s)
3''-oxohomoorientin(2−) (CHEBI:229565) has functional parent isoorientin (CHEBI:17965)
7-O-(6-feruoylglucosyl)isoorientin (CHEBI:75517) has functional parent isoorientin (CHEBI:17965)
7-O-(6-sinapoylglucosyl)isoorientin (CHEBI:75516) has functional parent isoorientin (CHEBI:17965)
7-O-[α-L-rhamnosyl-(1→2)-β-D-glucosyl]isoorientin (CHEBI:75515) has functional parent isoorientin (CHEBI:17965)
isoorientin 2''-O-glucoside (CHEBI:131779) has functional parent isoorientin (CHEBI:17965)
isoorientin 2''-O-rhamnoside (CHEBI:28596) has functional parent isoorientin (CHEBI:17965)
isoorientin 7-O-glucoside (CHEBI:75514) has functional parent isoorientin (CHEBI:17965)
isoorientin 7,3'-dimethyl ether (CHEBI:131792) has functional parent isoorientin (CHEBI:17965)
swertiajaponin (CHEBI:9369) has functional parent isoorientin (CHEBI:17965)
isoorientin(1−) (CHEBI:58333) is conjugate base of isoorientin (CHEBI:17965)
IUPAC Name 
(1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol
Synonyms  Source
IsoorientinKEGG COMPOUND
HomoorientinChemIDplus
Luteolin-6-C-β-D-glucosideChEBI
2-(3,4-dihydroxyphenyl)-6-β-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-oneChEBI
Manual XrefsDatabases
C01821KEGG COMPOUND
LMPK12110469LIPID MAPS
IsoorientinWikipedia
C00001055KNApSAcK
Registry NumbersSources
Reaxys:68256Reaxys
CAS:4261-42-1KEGG COMPOUND
CAS:4261-42-1ChemIDplus
Citations