loader
Please Wait
Applying Filters...

Minakem Generic APIs Minakem Generic APIs

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

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

    Client Email Product
    Menu

    Methyl Hesperidin

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

    Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

    2D Structure
    1. Also known as: Methylhesperidin, 11013-97-1, (2s)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one, Chebi:81056, K324u7386b, Dsstox_cid_841
    Molecular Formula
    C29H36O15
    Molecular Weight
    624.6  g/mol
    InChI Key
    GUMSHIGGVOJLBP-SLRPQMTOSA-N
    FDA UNII
    K324U7386B
    methyl hesperidin is a natural product found in Plantago depressa with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
    2.1.2 InChI
    InChI=1S/C29H36O15/c1-11-22(32)24(34)26(36)28(41-11)40-10-20-23(33)25(35)27(37)29(44-20)42-13-7-14(30)21-15(31)9-17(43-19(21)8-13)12-4-5-16(38-2)18(6-12)39-3/h4-8,11,17,20,22-30,32-37H,9-10H2,1-3H3/t11-,17-,20+,22-,23+,24+,25-,26+,27+,28+,29+/m0/s1
    2.1.3 InChI Key
    GUMSHIGGVOJLBP-SLRPQMTOSA-N
    2.1.4 Canonical SMILES
    CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)OC)O)O)O)O)O)O)O
    2.1.5 Isomeric SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)OC)O)O)O)O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    K324U7386B
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Methylhesperidin

    2.3.2 Depositor-Supplied Synonyms

    1. Methylhesperidin

    2. 11013-97-1

    3. (2s)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

    4. Chebi:81056

    5. K324u7386b

    6. Dsstox_cid_841

    7. Dsstox_rid_75821

    8. Dsstox_gsid_20841

    9. Methyl Hesperidine

    10. Cas-11013-97-1

    11. Ccris 4278

    12. Mfcd01741310

    13. Unii-k324u7386b

    14. Chembl3184988

    15. Dtxsid7020841

    16. Methyl Hesperidin [inci]

    17. Methyl Hesperidin [who-dd]

    18. Tox21_202328

    19. Tox21_302739

    20. Zinc79216850

    21. Akos015960520

    22. Ncgc00249210-01

    23. Ncgc00256545-01

    24. Ncgc00259877-01

    25. Ac-11572

    26. C17393

    27. A802151

    28. Q27155011

    29. (2s)-2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2h-1-benzopyran-7-yl 6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranoside

    30. (2s)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chroman-4-one;methyl-hesperidin

    31. (2s)-2-[3,4-bis(methyloxy)phenyl]-5-hydroxy-4-oxo-3,4-dihydro-2h-chromen-7-yl 6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranoside

    32. (s)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-((((2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)methyl)tetrahydro-2h-pyran-2-yl)oxy)chroman-4-one

    33. 28034-80-2

    34. 4h-1-benzopyran-4-one, 7-((6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, Monomethyl Ether, (2s)-

    35. 4h-1-benzopyran-4-one, 7-((6-o-(6deoxy-.alpha.-l-mannopyranosyl)-.beta.-d-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3,4-dimethoxyphenyl)-, (2s)-

    36. 4h-1-benzopyran-4-one, 7-((6-o-(6deoxy-.alpha.-l-mannopyranosyl)-.beta.-d-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, Monomethyl Ether, (2s)-

    2.4 Create Date
    2005-11-20
    3 Chemical and Physical Properties
    Molecular Weight 624.6 g/mol
    Molecular Formula C29H36O15
    XLogP3-0.8
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count15
    Rotatable Bond Count8
    Exact Mass624.20542044 g/mol
    Monoisotopic Mass624.20542044 g/mol
    Topological Polar Surface Area223 Ų
    Heavy Atom Count44
    Formal Charge0
    Complexity956
    Isotope Atom Count0
    Defined Atom Stereocenter Count11
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY