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CHEBI:66298 - remangiflavanone B

Default Structure
ChEBI IDCHEBI:66298
ChEBI Nameremangiflavanone B
Stars
DefinitionA tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 2' and 4' and a lavandulyl group at position 8. Isolated from Physena madagascariensis, it exhibits antibacterial activity.
Last Modified6 April 2018
DownloadsMolfile
FormulaC25H28O6
Net Charge0
Average Mass424.493
Monoisotopic Mass424.18859
SMILESC=C(C)CC[C@H](Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1O)CC2=O)C(=C)C
InChIInChI=1S/C25H28O6/c1-13(2)5-6-15(14(3)4)9-18-20(28)11-21(29)24-22(30)12-23(31-25(18)24)17-8-7-16(26)10-19(17)27/h7-8,10-11,15,23,26-29H,1,3,5-6,9,12H2,2,4H3/t15-,23+/m1/s1
InChIKeyCBIZXZGHIBJYRA-CMJOXMDJSA-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 B (CHEBI:66298) has role antibacterial agent (CHEBI:33282)
remangiflavanone B (CHEBI:66298) has role metabolite (CHEBI:25212)
remangiflavanone B (CHEBI:66298) is a 4'-hydroxyflavanones (CHEBI:140331)
remangiflavanone B (CHEBI:66298) is a tetrahydroxyflavanone (CHEBI:38742)
IUPAC Name 
(2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-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)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-5-methyl-2-(1-methylethenyl)-5-hexen-1-yl]-2,3-dihydro-4H-1-benzopyran-4-oneChEBI
(2S)-5,7,2',4'-tetrahydroxy-8-lavandulylflavanoneChEBI
Manual XrefsDatabases
LMPK12140498LIPID MAPS
Registry NumbersSources
Reaxys:8660550Reaxys
Citations