CHEBI:5730 - hispaglabridin A

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ChEBI Name hispaglabridin A
ChEBI ID CHEBI:5730
Definition A member of the class of hydroxyisoflavans that is (R)-isoflavan substituted by hydroxy groups at positions 2' and 4' , a 3-methylbut-2-en-1-yl group at position 3' and a 2,2-dimethyl-2H-pyran group across positions 7 and 8 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H28O4
Net Charge 0
Average Mass 392.48740
Monoisotopic Mass 392.19876
InChI InChI=1S/C25H28O4/c1-15(2)5-7-19-21(26)9-8-18(23(19)27)17-13-16-6-10-22-20(24(16)28-14-17)11-12-25(3,4)29-22/h5-6,8-12,17,26-27H,7,13-14H2,1-4H3/t17-/m0/s1
InChIKey HZHXMXSXYQCAIG-KRWDZBQOSA-N
SMILES CC(C)=CCc1c(O)ccc([C@@H]2COc3c(C2)ccc2OC(C)(C)C=Cc32)c1O
Metabolite of Species Details
Glycyrrhiza glabra (NCBI:txid49827) 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.
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ChEBI Ontology
Outgoing hispaglabridin A (CHEBI:5730) has parent hydride (R)-isoflavan (CHEBI:36101)
hispaglabridin A (CHEBI:5730) has role plant metabolite (CHEBI:76924)
hispaglabridin A (CHEBI:5730) is a hydroxyisoflavans (CHEBI:76250)
IUPAC Name
4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol
Manual Xrefs Databases
C00002534 KNApSAcK
C10425 KEGG COMPOUND
HMDB0038102 HMDB
LMPK12080013 LIPID MAPS
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Registry Numbers Types Sources
68978-03-0 CAS Registry Number KEGG COMPOUND
7495534 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
7381508 PubMed citation Europe PMC
9641259 PubMed citation Europe PMC
Last Modified
06 July 2015