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CHEBI:131953 - 1,3-bis(p-hydroxyphenyl)pentane-1,4-diene

ChEBI IDCHEBI:131953
ChEBI Name1,3-bis(p-hydroxyphenyl)pentane-1,4-diene
Stars
ASCII Name1,3-bis(p-hydroxyphenyl)pentane-1,4-diene
DefinitionA norlignan that is pentane-1,4-diene in which a hydrogen at position 1 and a hydrogen at position 3 are replaced by p-hydroxyphenyl groups. The isomer in which the 1,2-disubstituted double bond has Z configuration is known as nyasol; the corresponding E isomer is hinokiresinol.
Last Modified19 May 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H16O2
Net Charge0
Average Mass252.313
Monoisotopic Mass252.11503
SMILESC=CC(C=Cc1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H16O2/c1-2-14(15-7-11-17(19)12-8-15)6-3-13-4-9-16(18)10-5-13/h2-12,14,18-19H,1H2
InChIKeyVEAUNWQYYMXIRB-UHFFFAOYSA-N
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.
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)
1,3-bis(p-hydroxyphenyl)pentane-1,4-diene (CHEBI:131953) has role plant metabolite (CHEBI:76924)
1,3-bis(p-hydroxyphenyl)pentane-1,4-diene (CHEBI:131953) is a norlignan (CHEBI:53629)
1,3-bis(p-hydroxyphenyl)pentane-1,4-diene (CHEBI:131953) is a olefinic compound (CHEBI:78840)
1,3-bis(p-hydroxyphenyl)pentane-1,4-diene (CHEBI:131953) is a polyphenol (CHEBI:26195)
Incoming Relation(s)
(+)-nyasol (CHEBI:131956) is a 1,3-bis(p-hydroxyphenyl)pentane-1,4-diene (CHEBI:131953)
(−)-hinokiresinol (CHEBI:435764) is a 1,3-bis(p-hydroxyphenyl)pentane-1,4-diene (CHEBI:131953)
(−)-nyasol (CHEBI:67889) is a 1,3-bis(p-hydroxyphenyl)pentane-1,4-diene (CHEBI:131953)
IUPAC Name 
4-[1-(4-hydroxyphenyl)penta-1,4-dien-3-yl]phenol
Citations