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    Icaritin

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: 118525-40-9, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one, Ufe666uely, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4h-chromen-4-one, Sgn162, Sgn-162
    Molecular Formula
    C21H20O6
    Molecular Weight
    368.4  g/mol
    InChI Key
    TUUXBSASAQJECY-UHFFFAOYSA-N
    FDA UNII
    UFE666UELY
    structure in first source
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
    2.1.2 InChI
    InChI=1S/C21H20O6/c1-11(2)4-9-14-15(22)10-16(23)17-18(24)19(25)20(27-21(14)17)12-5-7-13(26-3)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3
    2.1.3 InChI Key
    TUUXBSASAQJECY-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    UFE666UELY
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 118525-40-9

    2. 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one

    3. Ufe666uely

    4. 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4h-chromen-4-one

    5. Sgn162

    6. Sgn-162

    7. Dtxsid00152154

    8. 4h-1-benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-

    9. 4h-1-benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-

    10. Refchem:147599

    11. Dtxcid4074645

    12. Mfcd22422519

    13. 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4h-1-benzopyran-4-one

    14. Chembl498485

    15. Unii-ufe666uely

    16. Icartin

    17. Icaritin (standard)

    18. Icaritin(anhydroicaritin)?

    19. Icaritin [who-dd]

    20. Mls006010055

    21. Bidd:er0021

    22. Orb1304239

    23. Schembl4223542

    24. Icaritin, >=98% (hplc)

    25. Schembl29360642

    26. Hy-n0678r

    27. Chebi:201674

    28. Tuuxbsasaqjecy-uhfffaoysa-n

    29. Hy-n0678

    30. Bdbm50272527

    31. S9080

    32. Akos015896858

    33. Ccg-268265

    34. Cs-3679

    35. Db12672

    36. Ebc-460069

    37. Fi24531

    38. Ncgc00345813-01

    39. Ncgc00345813-04

    40. Ac-33950

    41. As-55987

    42. Da-74392

    43. Smr004701218

    44. I0974

    45. Ns00014982

    46. F557937

    47. Brd-k24476327-001-01-3

    48. Q27291061

    49. 4'-methoxy-3,5,7trihydroxy-8-3,3-dimethylallylflavone

    50. 3-hydroxy-7-o-beta-glucose-8-prenyl-4''-methoxy Chrysin

    51. 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4h-chromen-4-one

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 368.4 g/mol
    Molecular Formula C21H20O6
    XLogP34.8
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count4
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area96.2
    Heavy Atom Count27
    Formal Charge0
    Complexity612
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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