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CHEBI:8251 - piscerythramine

ChEBI IDCHEBI:8251
ChEBI Namepiscerythramine
Stars
DefinitionA hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5, 7 and 3', prenyl groups at positions 2' and 6', a methoxy group at position 5' and an amino group at position 4'.
Last Modified25 June 2015
DownloadsMolfile
FormulaC26H29NO6
Net Charge0
Average Mass451.519
Monoisotopic Mass451.19949
SMILESCOc1c(N)c(O)c(CC=C(C)C)c(-c2coc3cc(O)cc(O)c3c2=O)c1CC=C(C)C
InChIInChI=1S/C26H29NO6/c1-13(2)6-8-16-21(17(9-7-14(3)4)26(32-5)23(27)25(16)31)18-12-33-20-11-15(28)10-19(29)22(20)24(18)30/h6-7,10-12,28-29,31H,8-9,27H2,1-5H3
InChIKeyFZVQFYVMVHEMPU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
piscerythramine (CHEBI:8251) has functional parent isoflavone (CHEBI:18220)
piscerythramine (CHEBI:8251) has role plant metabolite (CHEBI:76924)
piscerythramine (CHEBI:8251) is a hydroxyisoflavone (CHEBI:38755)
piscerythramine (CHEBI:8251) is a methoxyisoflavone (CHEBI:38756)
piscerythramine (CHEBI:8251) is a substituted aniline (CHEBI:48975)
IUPAC Name 
3-[4-amino-3-hydroxy-5-methoxy-2,6-bis(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
Manual XrefsDatabases
C10518KEGG COMPOUND
C00002561KNApSAcK
LMPK12050157LIPID MAPS
Registry NumbersSources
Reaxys:4339243Reaxys
CAS:132923-36-5KEGG COMPOUND