loader
Please Wait
Applying Filters...

Seqens Seqens

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about Epicatechin, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    Epicatechin

    DEVELOPMENTS

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

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

    2D Structure
    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

    2D Structure

    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 Weight 290.27 g/mol
    Molecular Formula C15H14O6
    XLogP30.4
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count1
    Exact Mass290.07903816 g/mol
    Monoisotopic Mass290.07903816 g/mol
    Topological Polar Surface Area110 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity364
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY