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CHEBI:9443 - tephrowatsin A

ChEBI IDCHEBI:9443
ChEBI Nametephrowatsin A
Stars
DefinitionA hydroxyflavan that is (2S)-flavan substituted by hydroxy group at position 4, methoxy groups at positions 5 and 7 and a prenyl group at position 8 respectively.
Last Modified2 June 2015
DownloadsMolfile
FormulaC22H26O4
Net Charge0
Average Mass354.446
Monoisotopic Mass354.18311
SMILESCOc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)C[C@H]2O
InChIInChI=1S/C22H26O4/c1-14(2)10-11-16-19(24-3)13-20(25-4)21-17(23)12-18(26-22(16)21)15-8-6-5-7-9-15/h5-10,13,17-18,23H,11-12H2,1-4H3/t17-,18+/m1/s1
InChIKeyADIMMCHZVYYGPW-MSOLQXFVSA-N
Roles Classification
Biological Role:
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)
tephrowatsin A (CHEBI:9443) has parent hydride (2S)-flavan (CHEBI:36103)
tephrowatsin A (CHEBI:9443) has role plant metabolite (CHEBI:76924)
tephrowatsin A (CHEBI:9443) is a hydroxyflavan (CHEBI:72010)
tephrowatsin A (CHEBI:9443) is a methoxyflavan (CHEBI:72585)
IUPAC Name 
(2S,4R)-5,7-dimethoxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
Synonym  Source
(2S,4R)-5,7-dimethoxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-olIUPAC
Manual XrefsDatabases
C09970KEGG COMPOUND
C00001009KNApSAcK
LMPK12020160LIPID MAPS
Registry NumbersSources
Reaxys:6575448Reaxys
CAS:97640-79-4KEGG COMPOUND