CHEBI:18200 - isoscoparin

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ChEBI Name isoscoparin
ChEBI ID CHEBI:18200
Definition A C-glycosyl compound that consists of chrysoeriol substituted by a 1,5-anhydro-D-glucitol moiety at position 6.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:24924, CHEBI:6057, CHEBI:14480
Supplier Information
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Formula C22H22O11
Net Charge 0
Average Mass 462.40348
Monoisotopic Mass 462.11621
InChI InChI=1S/C22H22O11/c1-31-13-4-8(2-3-9(13)24)12-5-10(25)16-14(32-12)6-11(26)17(19(16)28)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-24,26-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1
InChIKey KOMUHHCFAXYRPO-DGHBBABESA-N
SMILES COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing isoscoparin (CHEBI:18200) has functional parent 4',5,7-trihydroxy-3'-methoxyflavone (CHEBI:16514)
isoscoparin (CHEBI:18200) has role metabolite (CHEBI:25212)
isoscoparin (CHEBI:18200) is a C-glycosyl compound (CHEBI:20857)
isoscoparin (CHEBI:18200) is a monomethoxyflavone (CHEBI:25401)
isoscoparin (CHEBI:18200) is a monosaccharide derivative (CHEBI:63367)
isoscoparin (CHEBI:18200) is a trihydroxyflavone (CHEBI:27116)
isoscoparin (CHEBI:18200) is conjugate acid of isoscoparin-7-olate (CHEBI:58407)
Incoming 2''-O-α-L-arabinopyranosylisoscoparin (CHEBI:75396) has functional parent isoscoparin (CHEBI:18200)
2''-O-β-D-glucosylisoscoparin (CHEBI:75518) has functional parent isoscoparin (CHEBI:18200)
2''-O-(4-sinapoylarabinosyl)isoscoparin (CHEBI:75395) has functional parent isoscoparin (CHEBI:18200)
7-O-β-D-glucosylisoscoparin (CHEBI:75559) has functional parent isoscoparin (CHEBI:18200)
7-O-(6-sinapoylglucosyl)isoscoparin (CHEBI:75520) has functional parent isoscoparin (CHEBI:18200)
7-O-[α-L-rhamnosyl-(1→2)-β-D-glucosyl]isoscoparin (CHEBI:75433) has functional parent isoscoparin (CHEBI:18200)
isoscoparin 2''-O-[6-(E)-feruloylglucoside] (CHEBI:131831) has functional parent isoscoparin (CHEBI:18200)
isoscoparin-7-olate (CHEBI:58407) is conjugate base of isoscoparin (CHEBI:18200)
IUPAC Name
(1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol
Synonyms Sources
6-β-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one ChEBI
C-glucosyl-6 chrysoeriol KEGG COMPOUND
chrysoeriol 6-C-glucoside KEGG COMPOUND
isoorientin 3'-methyl ether ChEBI
isoorientin 3'-O-methyl ether ChEBI
isoscoparin KEGG COMPOUND
isoscoparine KEGG COMPOUND
Manual Xrefs Databases
C00001058 KNApSAcK
C05990 KEGG COMPOUND
ISOSCOPARIN MetaCyc
LMPK12110738 LIPID MAPS
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Registry Numbers Types Sources
1444632 Reaxys Registry Number Reaxys
20013-23-4 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
17655145 PubMed citation Europe PMC
18215689 PubMed citation Europe PMC
22529049 PubMed citation Europe PMC
32900444 PubMed citation Europe PMC
33164372 PubMed citation Europe PMC
35318616 PubMed citation Europe PMC
35638105 PubMed citation Europe PMC
36072835 PubMed citation Europe PMC
36845481 PubMed citation Europe PMC
4622942 PubMed citation Europe PMC
464459 Chinese Abstracts citation Europe PMC
Last Modified
16 May 2024