CHEBI:17745 - coniferol

ChEBI IDCHEBI:17745
ChEBI Nameconiferol
Stars
DefinitionA phenylpropanoid that is one of the main monolignols, produced by the reduction of the carboxy functional group in cinnamic acid and the addition of a hydroxy and a methoxy substituent to the aromatic ring.
Secondary ChEBI IDsCHEBI:3858, CHEBI:4730, CHEBI:14016, CHEBI:14017, CHEBI:23371
Last Modified30 June 2020
DownloadsMolfile
FormulaC10H12O3
Net Charge0
Average Mass180.203
Monoisotopic Mass180.07864
SMILESCOc1cc(/C=C/CO)ccc1O
InChIInChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+
InChIKeyJMFRWRFFLBVWSI-NSCUHMNNSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Brassica napus (ncbitaxon:3708) leaf lamina (BTO:0000719) MetaboLights (MTBLS309) From MetaboLights
Apis mellifera ligustica (ncbitaxon:7469) - PubMed (12676987)
Roles Classification
Biological Roles:
monolignol  A metabolite of plant origin (phytochemical) which acts as a source material for biosynthesis of both lignans and lignin.
pheromone  A semiochemical used in olfactory communication between organisms of the same species eliciting a change in sexual or social behaviour.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
ChEBI Ontology
Outgoing Relation(s)
coniferol (CHEBI:17745) has functional parent (E)-cinnamyl alcohol (CHEBI:33227)
coniferol (CHEBI:17745) has role animal metabolite (CHEBI:75767)
coniferol (CHEBI:17745) has role monolignol (CHEBI:64477)
coniferol (CHEBI:17745) has role mouse metabolite (CHEBI:75771)
coniferol (CHEBI:17745) has role pheromone (CHEBI:26013)
coniferol (CHEBI:17745) has role plant metabolite (CHEBI:76924)
coniferol (CHEBI:17745) has role volatile oil component (CHEBI:27311)
coniferol (CHEBI:17745) is a guaiacols (CHEBI:134251)
coniferol (CHEBI:17745) is a phenylpropanoid (CHEBI:26004)
Incoming Relation(s)
trans-coniferyl alcohol diacetate (CHEBI:86578) has functional parent coniferol (CHEBI:17745)
buddlenol B (CHEBI:86632) has functional parent coniferol (CHEBI:17745)
coniferin (CHEBI:16220) has functional parent coniferol (CHEBI:17745)
coniferyl p-coumarate (CHEBI:86599) has functional parent coniferol (CHEBI:17745)
coniferyl acetate (CHEBI:47905) has functional parent coniferol (CHEBI:17745)
coniferyl benzoate (CHEBI:86598) has functional parent coniferol (CHEBI:17745)
coniferyl ester (CHEBI:64292) has functional parent coniferol (CHEBI:17745)
dehydrodiconiferyl alcohol (CHEBI:91184) has functional parent coniferol (CHEBI:17745)
glycosmisic acid (CHEBI:91209) has functional parent coniferol (CHEBI:17745)
guaiacyl lignin (CHEBI:64475) has functional parent coniferol (CHEBI:17745)
guaiacylglycerol β-coniferyl ether (CHEBI:91172) has functional parent coniferol (CHEBI:17745)
pinoresinol (CHEBI:8225) has functional parent coniferol (CHEBI:17745)
simulanol (CHEBI:86940) has functional parent coniferol (CHEBI:17745)
IUPAC Name 
4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol
Synonyms  Source
Coniferyl alcoholKEGG COMPOUND
ConiferolKEGG COMPOUND
4-(3-Hydroxy-1-propenyl)-2-methoxyphenolKEGG COMPOUND
4-(3-hydroxy-1-propenyl)-2-methoxyphenolChEBI
4-[(1E)-3-hydroxy-1-propenyl]-2-methoxyphenolNIST Chemistry WebBook
trans-coniferolHMDB
UniProt Name  Source
(E)-coniferolUniProt
Manual XrefsDatabases
C00590KEGG COMPOUND
Coniferyl_alcoholWikipedia
C00000614KNApSAcK
CONIFERYL-ALCOHOLMetaCyc
HMDB0012915HMDB
FDB015496FooDB
N7IPDBeChem
Registry NumbersSources
Reaxys:2048963Reaxys
CAS:458-35-5KEGG COMPOUND
CAS:458-35-5ChemIDplus
CAS:458-35-5NIST Chemistry WebBook
Citations