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CHEBI:67343 - tephrocandidin A

Default Structure
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:
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 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