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CHEBI:5776 - hydrangenol

ChEBI IDCHEBI:5776
ChEBI Namehydrangenol
Stars
DefinitionA member of the class of dihydroisocoumarins that is 3,4-dihydroisocoumarin substituted by a hydroxy group at position 8 and a 4-hydroxyphenyl group at position 3. It has been isolated from the roots of Scorzonera judaica and exhibits anti-allergic activity.
Secondary ChEBI IDCHEBI:68140
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H12O4
Net Charge0
Average Mass256.257
Monoisotopic Mass256.07356
SMILESO=C1OC(c2ccc(O)cc2)Cc2cccc(O)c21
InChIInChI=1S/C15H12O4/c16-11-6-4-9(5-7-11)13-8-10-2-1-3-12(17)14(10)15(18)19-13/h1-7,13,16-17H,8H2
InChIKeyDGKDFNDHPXVXHW-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Scorzonera judaica (ncbitaxon:895824-1) tuberous root (BTO:0001309) PubMed (21650157) Dried powdered roots
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
anti-allergic agent  A drug used to treat allergic reactions.
ChEBI Ontology
Outgoing Relation(s)
hydrangenol (CHEBI:5776) has functional parent 3,4-dihydroisocoumarin (CHEBI:23745)
hydrangenol (CHEBI:5776) has role anti-allergic agent (CHEBI:50857)
hydrangenol (CHEBI:5776) has role plant metabolite (CHEBI:76924)
hydrangenol (CHEBI:5776) is a dihydroisocoumarins (CHEBI:76546)
hydrangenol (CHEBI:5776) is a phenols (CHEBI:33853)
Incoming Relation(s)
3S-hydrangenol 4'-O-α-L-rhamnopyranoysl-(1→3)-β-D-glucopyranoside (CHEBI:68124) has functional parent hydrangenol (CHEBI:5776)
hydrangenol 4'-O-β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside (CHEBI:68134) has functional parent hydrangenol (CHEBI:5776)
hydrangenol 4'-O-β-D-glucopyranoside (CHEBI:68138) has functional parent hydrangenol (CHEBI:5776)
hydrangenol 8-O-β-D-glucopyranoside (CHEBI:68133) has functional parent hydrangenol (CHEBI:5776)
IUPAC Name 
8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-isochromen-1-one
Synonym  Source
8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-2-benzopyran-1-oneChEBI
Manual XrefsDatabases
C10262KEGG COMPOUND
HydrangenolWikipedia
C00000217KNApSAcK
Registry NumbersSources
Reaxys:241860Reaxys
CAS:480-47-7KEGG COMPOUND
CAS:480-47-7ChemIDplus
Citations