CHEBI:6543 - lotisoflavan

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ChEBI Name lotisoflavan
ChEBI ID CHEBI:6543
Definition A hydroxyisoflavan that is isoflavan substituted by hydroxy groups at positions 2' and 4' and methoxy groups at positions 5 and 7 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H18O5
Net Charge 0
Average Mass 302.32180
Monoisotopic Mass 302.11542
InChI InChI=1S/C17H18O5/c1-20-12-7-16(21-2)14-5-10(9-22-17(14)8-12)13-4-3-11(18)6-15(13)19/h3-4,6-8,10,18-19H,5,9H2,1-2H3
InChIKey ITRZCICEVGLQFO-UHFFFAOYSA-N
SMILES COc1cc(OC)c2CC(COc2c1)c1ccc(O)cc1O
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 lotisoflavan (CHEBI:6543) has functional parent isoflavan (CHEBI:38740)
lotisoflavan (CHEBI:6543) has role plant metabolite (CHEBI:76924)
lotisoflavan (CHEBI:6543) is a hydroxyisoflavans (CHEBI:76250)
lotisoflavan (CHEBI:6543) is a methoxyisoflavan (CHEBI:77002)
IUPAC Name
4-(5,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-3-yl)benzene-1,3-diol
Synonym Source
2',4'-dihydroxy-5,7-dimethoxyisoflavan KNApSAcK
Manual Xrefs Databases
C00002544 KNApSAcK
C10495 KEGG COMPOUND
LMPK12080048 LIPID MAPS
View more database links
Registry Numbers Types Sources
6982121 Reaxys Registry Number Reaxys
77370-02-6 CAS Registry Number KEGG COMPOUND
Last Modified
09 June 2015