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CHEBI:66297 - remangiflavanone A

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:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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
5,7,4'-trihydroxy-8-(2-isopropyl-5-methyl-5-hexenyl)flavanoneLIPID MAPS
5,7,2',4'-tetrahydroxy-8-(2-isopropyl-5-methyl-5-hexenyl)flavanoneLIPID MAPS
Manual XrefsDatabases
LMPK12140299LIPID MAPS
Registry NumbersSources
Reaxys:8658227Reaxys
Citations