CHEBI:17965 - isoorientin

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ChEBI Name isoorientin
ChEBI ID CHEBI:17965
Definition A flavone C-glycoside consisting of luteolin having a β-D-glucosyl residue at the 6-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14471, CHEBI:6034, CHEBI:24905
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Formula C21H20O11
Net Charge 0
Average Mass 448.37690
Monoisotopic Mass 448.101
InChI InChI=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
InChIKey ODBRNZZJSYPIDI-VJXVFPJBSA-N
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
Metabolite of Species Details
Petrorhagia velutina (NCBI:308175) Found in leaf (BTO:0000713). Methanolic extract of dried leaf and root See: PubMed
Petrorhagia velutina (NCBI:308175) Found in root (BTO:0001188). Methanolic extract of dried leaf and root See: PubMed
Sasa borealis (NCBI:591242) See: PubMed
Roles Classification
Chemical Role(s): radical scavenger
A role played by a substance that can react readily with, and thereby eliminate, radicals.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 7,3'-dimethyl ether (CHEBI:131792) has functional parent isoorientin (CHEBI:17965)
isoorientin 7-O-glucoside (CHEBI:75514) 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 Sources
2-(3,4-dihydroxyphenyl)-6-β-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one ChEBI
Homoorientin ChemIDplus
Isoorientin KEGG COMPOUND
Luteolin-6-C-β-D-glucoside ChEBI
Database Links Databases
C00001055 KNApSAcK
C01821 KEGG COMPOUND
Isoorientin Wikipedia
LMPK12110469 LIPID MAPS
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Registry Numbers Types Sources
4261-42-1 CAS Registry Number KEGG COMPOUND
4261-42-1 CAS Registry Number ChemIDplus
68256 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21080643 PubMed citation Europe PMC
22529049 PubMed citation Europe PMC
22948221 PubMed citation Europe PMC
22980875 PubMed citation Europe PMC
23026832 PubMed citation Europe PMC
23220614 PubMed citation Europe PMC
Last Modified
18 November 2016