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CHEBI:67343 - tephrocandidin A

ChEBI IDCHEBI:67343
ChEBI Nametephrocandidin A
Stars
DefinitionA monomethoxyflavanone that is (2S)-flavanone substituted by a methoxy group at position 5, a hydroxy group at position 7 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 Modified4 December 2013
DownloadsMolfile
FormulaC21H22O5
Net Charge0
Average Mass354.402
Monoisotopic Mass354.14672
SMILESCOc1cc(O)c(/C=C\C(C)(C)O)c2c1C(=O)C[C@@H](c1ccccc1)O2
InChIInChI=1S/C21H22O5/c1-21(2,24)10-9-14-15(22)11-18(25-3)19-16(23)12-17(26-20(14)19)13-7-5-4-6-8-13/h4-11,17,22,24H,12H2,1-3H3/b10-9-/t17-/m0/s1
InChIKeyYSYPNKZOQYHUSV-IBSYWUHOSA-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:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
tephrocandidin A (CHEBI:67343) has functional parent (2S)-flavanone (CHEBI:15606)
tephrocandidin A (CHEBI:67343) has role metabolite (CHEBI:25212)
tephrocandidin A (CHEBI:67343) has role plant metabolite (CHEBI:76924)
tephrocandidin A (CHEBI:67343) is a monohydroxyflavanone (CHEBI:38748)
tephrocandidin A (CHEBI:67343) is a monomethoxyflavanone (CHEBI:38738)
tephrocandidin A (CHEBI:67343) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2S)-7-hydroxy-8-[(1Z)-3-hydroxy-3-methylbut-1-en-1-yl]-5-methoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one
Registry NumbersSources
Reaxys:21534247Reaxys
Citations