CHEBI:17793 - calycosin

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ChEBI Name calycosin
ChEBI ID CHEBI:17793
Definition A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone which is substituted by an additional hydroxy group at the 3' position and a methoxy group at the 4' position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:13938, CHEBI:22989, CHEBI:3334
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Formula C16H12O5
Net Charge 0
Average Mass 284.26350
Monoisotopic Mass 284.068
InChI InChI=1S/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3
InChIKey ZZAJQOPSWWVMBI-UHFFFAOYSA-N
SMILES COc1ccc(cc1O)-c1coc2cc(O)ccc2c1=O
Metabolite of Species Details
Bowdichia nitida (IPNI:482138-1) See: LIEBIGS ANN CHEM,1974,1295
Bowdichia virgilioides (IPNI:482144-1) Found in xylem (BTO:0001468). Previous component: wood; See: PubMed
Cyclolobium claussenii (IPNI:489268-1) See: DOI
Machaerium mucronulatum (IPNI:505522-1) See: DOI
Milletia laurentii (IPNI:507419-1) Found in heartwood (PO:0004512). See: DOI
Myroxylon peruiferum (IPNI:509454-1) See: DOI
Psorothamnus arborescens (NCBI:248527) Found in root (BTO:0001188). See: PubMed
Sophora secundiflora (NCBI:48122) See: DOI
Andira inermis (NCBI:53825) Found in leaf (BTO:0000713). See: PubMed
Myroxylon balsamum (NCBI:53906) See: DOI
Trifolium pratense (NCBI:57577) See: DOI
Astragalus membranaceus (NCBI:649199) Found in root (BTO:0001188). See: PubMed
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
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 calycosin (CHEBI:17793) has functional parent isoflavone (CHEBI:18220)
calycosin (CHEBI:17793) has role antioxidant (CHEBI:22586)
calycosin (CHEBI:17793) has role metabolite (CHEBI:25212)
calycosin (CHEBI:17793) is a 4'-methoxyisoflavones (CHEBI:133959)
calycosin (CHEBI:17793) is a 7-hydroxyisoflavones (CHEBI:55465)
calycosin (CHEBI:17793) is conjugate acid of calycosin(1−) (CHEBI:77992)
Incoming calycosin-7-O-β-D-glucoside (CHEBI:86512) has functional parent calycosin (CHEBI:17793)
calycosin(1−) (CHEBI:77992) is conjugate base of calycosin (CHEBI:17793)
IUPAC Name
7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one
Synonyms Sources
3'-hydroxy-formononetin ChEBI
7,3'-dihydroxy-4'-methoxyisoflavone ChEBI
7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one ChEBI
7-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one ChemIDplus
Calycosin KEGG COMPOUND
calycosin (OLD) UniProt
Database Links Databases
C00009389 KNApSAcK
C01562 KEGG COMPOUND
Calycosin Wikipedia
CN102030735 Patent
KR20080079237 Patent
LMPK12050056 LIPID MAPS
WO2009129260 Patent
View more database links
Registry Numbers Types Sources
1292488 Reaxys Registry Number Reaxys
1292488 Beilstein Registry Number Beilstein
20575-57-9 CAS Registry Number KEGG COMPOUND
20575-57-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11025148 PubMed citation Europe PMC
16286304 PubMed citation Europe PMC
16441066 PubMed citation Europe PMC
17253088 PubMed citation Europe PMC
Last Modified
17 November 2016
General Comment
2012-07-27 LIEBIGS ANN CHEM,1974,1295