(±)-Epicatechin
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(±)-Epicatechin
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CAS No:
17334-50-8
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Formula:
C15H14O6
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Chemical Name:
(±)-Epicatechin
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Synonyms:
2H-1-Benzopyran-3,5,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-,(2R,3R)-rel-;Epicatechol,(±)-;2H-1-Benzopyran-3,5,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-,cis-(±)-;rel-(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol;(±)-Epicatechin;2H-1-Benzopyran-3,5,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-,cis-;NSC 81162;188819-04-7
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CAS No:
Description
Solid
(-)-epicatechin is a catechin with (2R,3R)-configuration. It has a role as an antioxidant. It is a polyphenol and a catechin. It is an enantiomer of a (+)-epicatechin.|Epicatechin has been used in trials studying the treatment of Pre-diabetes.|An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.
Characteristics
110 Ų
0.490 (est)
242 °C
630.40°C.@760.00mmHg(est)
6.311e+004 mg/L @ 25 °C (est)
161.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
Epicatechin has known human metabolites that include 5-(3',4'-dihydroxyphenyl)-gamma-valerolactone and Phloroglucinol.
(+)-Catechin
(±)-Epicatechin Use and Manufacturing
Polyketides [PK] -> Flavonoids [PK12] -> Flavans, Flavanols and Leucoanthocyanidins [PK1202]
Computed Properties
Molecular Weight:290.27
XLogP3:0.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:290.07903816
Monoisotopic Mass:290.07903816
Topological Polar Surface Area:110
Heavy Atom Count:21
Complexity:364
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes