CHEBI:5776 - hydrangenol

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ChEBI Name hydrangenol
ChEBI ID CHEBI:5776
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:68140
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Formula C15H12O4
Net Charge 0
Average Mass 256.25340
Monoisotopic Mass 256.074
InChI InChI=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
InChIKey DGKDFNDHPXVXHW-UHFFFAOYSA-N
SMILES Oc1ccc(cc1)C1Cc2cccc(O)c2C(=O)O1
Metabolite of Species Details
Scorzonera judaica (NCBI:txid895824-1) Found in tuberous root (BTO:0001309). Dried powdered roots See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): anti-allergic agent
A drug used to treat allergic reactions.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 3S-hydrangenol 4ʼ-O-α-L-rhamnopyranoysl-(1→3)-β-D-glucopyranoside (CHEBI:68124) has functional parent hydrangenol (CHEBI:5776)
hydrangenol 4ʼ-O-β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside (CHEBI:68134) has functional parent hydrangenol (CHEBI:5776)
hydrangenol 4ʼ-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-one ChEBI
Manual Xrefs Databases
C00000217 KNApSAcK
C10262 KEGG COMPOUND
Hydrangenol Wikipedia
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Registry Numbers Types Sources
241860 Reaxys Registry Number Reaxys
480-47-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10480329 PubMed citation Europe PMC
13852592 PubMed citation Europe PMC
21650157 PubMed citation Europe PMC
23724681 PubMed citation Europe PMC
2462259 PubMed citation Europe PMC
8904816 PubMed citation Europe PMC
9871657 PubMed citation Europe PMC
Last Modified
28 July 2014