ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

DEVELOPMENTS

3 Drugs in Development

3 Drugs in Development

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

3DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 35323-91-2, Ent-epicatechin, D-epicatechin, (+)-epicatechol, (2s,3s)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol, Epicatechin, (+)-

Molecular Formula

C₁₅H₁₄O₆

Molecular Weight

290.27 g/mol

InChI Key

PFTAWBLQPZVEMU-ZFWWWQNUSA-N

FDA UNII

LD6B6TT8Q5

(+)-epicatechin is a natural product found in Gambeya perpulchra, Pavetta owariensis, and other organisms with data available.

1 2D Structure

Epicatechin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

2.1.2 InChI

InChI=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

2.1.3 InChI Key

PFTAWBLQPZVEMU-ZFWWWQNUSA-N

2.1.4 Canonical SMILES

C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O

2.1.5 Isomeric SMILES

C1[C@@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O

2.2 Other Identifiers

2.2.1 UNII

LD6B6TT8Q5

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 35323-91-2

2. Ent-epicatechin

3. D-epicatechin

4. (+)-epicatechol

5. (2s,3s)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol

6. Epicatechin, (+)-

7. (2s,3s)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-chromene-3,5,7-triol

8. Ld6b6tt8q5

9. Chembl129482

10. Chebi:76125

11. (2s,3s)-3,3',4',5,7-pentahydroxyflavan

12. Cis-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol

13. (2s,3s)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

14. 2h-1-benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2s-cis)-

15. Catechin C

16. (-) Epicatechine

17. Dexepicatechin

18. (2s,3s)-epicatechin

19. Epicatechin, D-

20. Unii-ld6b6tt8q5

21. Dexepicatechin [inn]

22. Schembl862089

23. (2s,3s)-(+)-epicatechin

24. Ethyl Dichlorophosphorylcarbamate

25. Hy-n0001a

26. Dtxsid401316979

27. Zinc119978

28. Bdbm50135167

29. (+)-3 3' 4' 5 7-pentahydroxyflavan

30. (+)-cis-3,3',4',5,7-pentahydroxyflavan

31. Cs-0204063

32. N2101

33. C09728

34. (2s,3s)-3',4',5,7-tetrahydroxyflavan-3-ol

35. 99182e3e-bccb-48bb-89bf-7ddc933d48ff

36. Q27145771

37. (2s,3s)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol

38. (2s,3s)-2-(3,4-dihydroxy-phenyl)-chroman-3,5,7-triol

39. (2s-cis)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₄O₆
Molecular Weight	290.27 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	290.07903816 g/mol
Monoisotopic Mass	290.07903816 g/mol
Topological Polar Surface Area	110 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	364
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1