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3-(3-Hydroxyphenyl)propanoic acid (PC000951)

Record Information
Version1.0
Creation date2015-10-09 22:33:34 UTC
Update date2017-01-19 02:36:42 UTC
FoodComEx IDPC000951
FoodDB RecordFDB021993
Chemical Information
Name3-(3-Hydroxyphenyl)propanoic acid
Description3-(3-Hydroxyphenyl)propanoic (hMPP) acid is one of the major metabolites of ingested caffeic acid (PMID 15479001) and of the phenolic degradation products of proanthocyanidins (the most abundant polyphenol present in chocolate) by the microflora in the colon (PMID 12663291). mHPP is suspected to have antioxidants properties and is actively absorbed by the monocarboxylic acid transporter (MCT) in intestinal Caco-2 cell monolayers (PMID 15479001, 12663291). [HMDB]
CAS Number621-54-5
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
3-(3-Hydroxy-phenyl)-propanoateGenerator
3-(3-Hydroxy-phenyl)-propanoic acidChEBI
3-(3-Hydroxy-phenyl)-propionic acidHMDB
3-(3-Hydroxyphenyl)propanoatehmdb
3-(3-Hydroxyphenyl)propanoic acidhmdb
3-(3-Hydroxyphenyl)propionatehmdb
3-(3-Hydroxyphenyl)propionic acidhmdb
3-(m-Hydroxyphenyl)propionatehmdb
3-(m-Hydroxyphenyl)propionic acidhmdb
3-HydroxybenzenepropanoateHMDB
3-Hydroxybenzenepropanoic acidHMDB
3-Hydroxydihydrocinnamatehmdb
3-Hydroxydihydrocinnamic acidhmdb
3-Hydroxyhydrocinnamic acidHMDB
3-HydroxyphenylpropanoateHMDB
3-Hydroxyphenylpropanoic acidHMDB
3-Hydroxyphenylpropionatehmdb
3-Hydroxyphenylpropionic acidhmdb
b-(3-Hydroxyphenyl)propionatehmdb
b-(3-Hydroxyphenyl)propionic acidhmdb
b-(m-Hydroxyphenyl)propionatehmdb
b-(m-Hydroxyphenyl)propionic acidhmdb
beta-(3-Hydroxyphenyl)propionatehmdb
beta-(3-Hydroxyphenyl)propionic acidhmdb
beta-(m-Hydroxyphenyl)propionatehmdb
beta-(m-Hydroxyphenyl)propionic acidhmdb
dihydro-3-CoumarateGenerator
dihydro-3-Coumaric acidChEBI
Dihydro-m-coumaratehmdb
Dihydro-m-coumaric acidhmdb
m-Hydrocoumaric acidHMDB
m-hydroxy-Hydrocinnamatehmdb
m-hydroxy-Hydrocinnamic acidhmdb
m-Hydroxyphenylpropionatehmdb
m-Hydroxyphenylpropionic acidhmdb
β-(m-hydroxyphenyl)propionateGenerator
β-(m-hydroxyphenyl)propionic acidGenerator
Chemical FormulaC9H10O3
IUPAC name3-(3-hydroxyphenyl)propanoic acid
InChI IdentifierInChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)
InChI KeyQVWAEZJXDYOKEH-UHFFFAOYSA-N
Isomeric SMILESOC(=O)CCC1=CC=CC(O)=C1
Average Molecular Weight166.1739
Monoisotopic Molecular Weight166.062994186
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassPhenylpropanoic acids
Sub ClassNot Available
Direct ParentPhenylpropanoic acids
Alternative Parents
Substituents
  • 3-phenylpropanoic-acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Benzenoid
  • Monocyclic benzene moiety
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 3 g
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci F251
MetaSci HMDB0000375
Toronto Research Chemicals H940090
Toronto Research Chemicals HMDB0000375