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CHEBI:66048 - 2'-hydroxyneobavaisoflavanone

Default Structure
ChEBI IDCHEBI:66048
ChEBI Name2'-hydroxyneobavaisoflavanone
Stars
DefinitionA hydroxyisoflavanone that is 2,3-dihydroneobavaisoflavone with an additional hydroxy group at position 2'. Isolated from Erythrina lysistemon, it exhibits anti-HIV activity.
Last Modified12 March 2013
DownloadsMolfile
FormulaC20H20O5
Net Charge0
Average Mass340.375
Monoisotopic Mass340.13107
SMILESCC(C)=CCc1c(O)ccc(C2COc3cc(O)ccc3C2=O)c1O
InChIInChI=1S/C20H20O5/c1-11(2)3-5-14-17(22)8-7-13(19(14)23)16-10-25-18-9-12(21)4-6-15(18)20(16)24/h3-4,6-9,16,21-23H,5,10H2,1-2H3
InChIKeyLNXMEHXPWCVVID-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Erythrina lysistemon (ncbitaxon:347910) root (BTO:0001188) PubMed (9170286)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
ChEBI Ontology
Outgoing Relation(s)
2'-hydroxyneobavaisoflavanone (CHEBI:66048) has functional parent neobavaisoflavone (CHEBI:66614)
2'-hydroxyneobavaisoflavanone (CHEBI:66048) has role anti-HIV agent (CHEBI:64946)
2'-hydroxyneobavaisoflavanone (CHEBI:66048) has role metabolite (CHEBI:25212)
2'-hydroxyneobavaisoflavanone (CHEBI:66048) is a hydroxyisoflavanone (CHEBI:72739)
IUPAC Name 
3-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-7-hydroxy-2,3-dihydro-4H-chromen-4-one
Citations