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CHEBI:66298 - remangiflavanone B

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:
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 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)-5,7,2',4'-tetrahydroxy-8-lavandulylflavanoneChEBI
(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
Manual XrefsDatabases
LMPK12140498LIPID MAPS
Registry NumbersSources
Reaxys:8660550Reaxys
Citations