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CHEBI:66297 - remangiflavanone A

Default Structure
ChEBI IDCHEBI:66297
ChEBI Nameremangiflavanone A
Stars
DefinitionA trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7 and 4' and a lavandulyl group at position 8. Isolated from Physena madagascariensis, it exhibits antibacterial activity.
Last Modified5 April 2018
DownloadsMolfile
FormulaC25H28O5
Net Charge0
Average Mass408.494
Monoisotopic Mass408.19367
SMILESC=C(C)CC[C@H](Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O)C(=C)C
InChIInChI=1S/C25H28O5/c1-14(2)5-6-17(15(3)4)11-19-20(27)12-21(28)24-22(29)13-23(30-25(19)24)16-7-9-18(26)10-8-16/h7-10,12,17,23,26-28H,1,3,5-6,11,13H2,2,4H3/t17-,23+/m1/s1
InChIKeyNPTHXJUVZWZDJB-HXOBKFHXSA-N
Species of MetaboliteComponentSourceComments
Physena madagascariensis (ncbitaxon:764924) leaf (BTO:0000713) PubMed (10978202)
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.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
remangiflavanone A (CHEBI:66297) has role antibacterial agent (CHEBI:33282)
remangiflavanone A (CHEBI:66297) has role metabolite (CHEBI:25212)
remangiflavanone A (CHEBI:66297) is a 4'-hydroxyflavanones (CHEBI:140331)
remangiflavanone A (CHEBI:66297) is a trihydroxyflavanone (CHEBI:38739)
IUPAC Name 
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-2,3-dihydro-4H-chromen-4-one
Synonyms  Source
(2S)-5,7,4'-trihydroxy-8-lavandulylflavanoneChEBI
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2R)-5-methyl-2-(1-methylethenyl)-5-hexen-1-yl]-2,3-dihydro-4H-1-benzopyran-4-oneChEBI
5,7,2',4'-tetrahydroxy-8-(2-isopropyl-5-methyl-5-hexenyl)flavanoneLIPID MAPS
5,7,4'-trihydroxy-8-(2-isopropyl-5-methyl-5-hexenyl)flavanoneLIPID MAPS
Manual XrefsDatabases
LMPK12140299LIPID MAPS
Registry NumbersSources
Reaxys:8658227Reaxys
Citations