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CHEBI:17793 - calycosin

ChEBI IDCHEBI:17793
ChEBI Namecalycosin
Stars
DefinitionA 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.
Secondary ChEBI IDsCHEBI:3334, CHEBI:13938, CHEBI:22989
Last Modified14 December 2018
DownloadsMolfile

FormulaC16H12O5
Net Charge0
Average Mass284.267
Monoisotopic Mass284.06847
SMILESCOc1ccc(-c2coc3cc(O)ccc3c2=O)cc1O
InChIInChI=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
InChIKeyZZAJQOPSWWVMBI-UHFFFAOYSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Andira inermis (ncbitaxon:53825) leaf (BTO:0000713) PubMed (11025148)
Astragalus membranaceus (ncbitaxon:649199) root (BTO:0001188) PubMed (17253088)
Bowdichia nitida (IPNI:482138-1) - Article (LIEBIGS ANN CHEM,1974,1295)
Psorothamnus arborescens (ncbitaxon:248527) root (BTO:0001188) PubMed (16441066)
Sophora secundiflora (ncbitaxon:48122) - DOI (10.1016/S0040-4039(00)78784-3)
Myroxylon peruiferum (IPNI:509454-1) - DOI (10.1016/0031-9422(79)80020-5)
Milletia laurentii (IPNI:507419-1) heartwood (PO:0004512) DOI (10.1016/S0031-9422(99)00043-6)
Myroxylon balsamum (ncbitaxon:53906) - DOI (10.1016/S0031-9422(00)89391-7)
Cyclolobium claussenii (IPNI:489268-1) - DOI (10.1016/0031-9422(75)80372-4)
Bowdichia virgilioides (IPNI:482144-1) xylem (BTO:0001468) PubMed (16286304) Previous component: wood;
Trifolium pratense (ncbitaxon:57577) - DOI (10.1016/S0031-9422(00)94679-X)
Machaerium mucronulatum (IPNI:505522-1) - DOI (10.1016/S0031-9422(00)94598-9)
Roles Classification

ChEBI Ontology
IUPAC Name 
7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one
Synonyms  Source
CalycosinKEGG COMPOUND
7,3'-dihydroxy-4'-methoxyisoflavoneChEBI
3'-hydroxy-formononetinChEBI
7-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-oneChemIDplus
7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-oneChEBI
Manual XrefsDatabases
C01562KEGG COMPOUND
CalycosinWikipedia
WO2009129260Patent
KR20080079237Patent
CN102030735Patent
LMPK12050056LIPID MAPS
C00009389KNApSAcK
Registry NumbersSources
Reaxys:1292488Reaxys
CAS:20575-57-9KEGG COMPOUND
CAS:20575-57-9ChemIDplus
Citations