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CHEBI:67344 - tephrocandidin B

ChEBI IDCHEBI:67344
ChEBI Nametephrocandidin B
Stars
DefinitionA monomethoxyflavanone that is (2S)-flavanone substituted by a methoxy group at position 5, hydroxy groups at positions 7 and 4' and a 3-hydroxy-3-methylbut-1-en-1-yl group at position 8. It has been isolated from the aerial parts of Tephrosia candida.
Last Modified5 April 2018
DownloadsMolfile
FormulaC21H22O6
Net Charge0
Average Mass370.401
Monoisotopic Mass370.14164
SMILESCOc1cc(O)c(/C=C\C(C)(C)O)c2c1C(=O)C[C@@H](c1ccc(O)cc1)O2
InChIInChI=1S/C21H22O6/c1-21(2,25)9-8-14-15(23)10-18(26-3)19-16(24)11-17(27-20(14)19)12-4-6-13(22)7-5-12/h4-10,17,22-23,25H,11H2,1-3H3/b9-8-/t17-/m0/s1
InChIKeyUQJDHMKAJSKDGS-JJEJIETFSA-N
Species of MetaboliteComponentSourceComments
Tephrosia candida (IPNI:520444-1) aerial part (BTO:0001658) PubMed (21510635) CH2Cl2-MeOH (1:1) extract of crushed, air-dried aerial parts
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.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
tephrocandidin B (CHEBI:67344) has functional parent (2S)-flavanone (CHEBI:15606)
tephrocandidin B (CHEBI:67344) has role metabolite (CHEBI:25212)
tephrocandidin B (CHEBI:67344) has role plant metabolite (CHEBI:76924)
tephrocandidin B (CHEBI:67344) is a 4'-hydroxyflavanones (CHEBI:140331)
tephrocandidin B (CHEBI:67344) is a dihydroxyflavanone (CHEBI:38749)
tephrocandidin B (CHEBI:67344) is a monomethoxyflavanone (CHEBI:38738)
tephrocandidin B (CHEBI:67344) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2S)-7-hydroxy-8-[(1Z)-3-hydroxy-3-methylbut-1-en-1-yl]-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydro-4H-chromen-4-one
Registry NumbersSources
Reaxys:21534248Reaxys
Citations