Record Information
Version1.0
Creation date2018-04-10 11:40:03 UTC
Update date2018-04-27 10:35:43 UTC
FoodComEx IDPC001073
FoodDB RecordNot Available
Chemical Information
NameEpicatechin
DescriptionWidespread flavanol found in a variety of foodstuffs esp. apples, apricots, blackberries, broad beans, cherries, chocolate, grapes, raspberries, red wine, strawberries and tea
CAS Number490-46-0
Structure
Thumb
Synonyms
SynonymSource
(-)-(2R:3R)-5,7,3',4'-Tetrahydroxyflavan-3-olbiospider
(-)-cis-3,3',4',5,7-Pentahydroxyflavanebiospider
(-)-Epicatechinmanual
(-)-Epicatecholbiospider
(2R,3R)-(-)-Epicatechinbiospider
2,3-cis-Epicatechinbiospider
3,3',4',5,7-Pentahydroxyflavan; (-)-cis-formdb_source
3,3',4',5,7-PentahydroxyflavaneHMDB
alpha-CatechinHMDB
Colateindb_source
Epicatechindb_source
Epicatecholdb_source
Kakaoldb_source
L-Acacatechinmanual
L-Epicatechinbiospider
L-Epicatecholbiospider
L(-)-EpicatechinHMDB
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1
InChI KeyPFTAWBLQPZVEMU-ZFWWWQNUSA-N
Isomeric SMILESO[C@H]1CC2=C(O[C@H]1C1=CC=C(O)C(O)=C1)C=C(O)C=C2O
Average Molecular Weight290.2681
Monoisotopic Molecular Weight290.07903818
Chemical Taxonomy
Description Belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-Tiol.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavans
Direct ParentCatechins
Alternative Parents
Substituents
  • Catechin
  • 3'-hydroxyflavonoid
  • 3-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Hydroxyflavonoid
  • Chromane
  • Benzopyran
  • 1-benzopyran
  • Catechol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Phenol
  • Benzenoid
  • Monocyclic benzene moiety
  • Secondary alcohol
  • Organoheterocyclic compound
  • Oxacycle
  • Polyol
  • Ether
  • Organic oxygen compound
  • Alcohol
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointMp 242°DFC
Foods of Origin
apples, apricots, blackberries, broad beans, cherries, chocolate, grapes, raspberries, red wine, strawberries and tea
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity Available1 to 2 mg
Delivery Time2 weeks
Storage Formpowder
Storage Conditions4°C
StabilityNot Available
Purity>98%
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Claudine ManachINRA, Human Nutrition, Research Center Auvergne-Rhône-Alpes - Theix, Clermont-Ferrand, FR, F-63122claudine.manach@inra.fr
Commercial Vendors
AKSci P692
Cayman Chemical 11807
Glentham GP4379
MetaSci HMDB0001871
Sigma-Aldrich HMDB0001871
Toronto Research Chemicals E582260