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

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    Baicalin

    PRICE INFORMATION

    MARKET PLACE

    ANALYTICAL SOLUTION(s)

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

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    2D Structure
    Also known as: 21967-41-9, Baicalein 7-o-glucuronide, 7-d-glucuronic acid-5,6-dihydroxyflavone, Mfcd00134418, Chebi:2981, Chembl485818
    Molecular Formula
    C21H18O11
    Molecular Weight
    446.4  g/mol
    InChI Key
    IKIIZLYTISPENI-ZFORQUDYSA-N
    FDA UNII
    347Q89U4M5
    baicalin is a natural product found in Scutellaria amoena, Thalictrum baicalense, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
    2.1.3 InChI Key
    IKIIZLYTISPENI-ZFORQUDYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O
    2.1.5 Isomeric SMILES
    C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    347Q89U4M5
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 7-d-glucuronic Acid-5,6-dihydroxy-flavone

    2. 7-d-glucuronic Acid-5,6-dihydroxyflavone

    2.3.2 Depositor-Supplied Synonyms

    1. 21967-41-9

    2. Baicalein 7-o-glucuronide

    3. 7-d-glucuronic Acid-5,6-dihydroxyflavone

    4. Mfcd00134418

    5. Chebi:2981

    6. Chembl485818

    7. 31564-28-0

    8. 5,6-dihydroxy-4-oxo-2-phenyl-4h-chromen-7-yl Beta-d-glucopyranosiduronic Acid

    9. Baicalein 7-o-.beta.-d-glucuronide

    10. 347q89u4m5

    11. (2s,3s,4s,5r,6s)-6-((5,6-dihydroxy-4-oxo-2-phenyl-4h-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2h-pyran-2-carboxylic Acid

    12. 5,6,7-trihydroxyflavone 7-o-beta-d-glucuronide

    13. (2s,3s,4s,5r,6s)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic Acid

    14. (2s,3s,4s,5r,6s)-6-[(5,6-dihydroxy-4-oxo-2-phenyl-4h-chromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic Acid

    15. 5,6-dihydroxy-4-oxo-2-phenyl-4h-1-benzopyran-7-yl

    16. A-d-glucopyranosiduronic Acid

    17. Baicalein 7-glucuronide

    18. Baicalein-7-o-glucuronide

    19. 5,6-dihydroxy-4-oxo-2-phenyl-4h-1-benzopyran-7-yl Beta-d-glucopyranosiduronic Acid

    20. Baikalin

    21. Baicaloside

    22. Baicalin,(s)

    23. (2s,3s,4s,5r,6s)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4h-chromen-7-yloxy)-3,4,5-trihydroxytetrahydro-2h-pyran-2-carboxylic Acid

    24. 0xe

    25. Baicalin, 95%

    26. Baicalin [inci]

    27. Baicalin [vandf]

    28. Baicalein-7-d-glucuronide

    29. Baicalin [who-dd]

    30. Schembl285082

    31. Baicalein 7-beta-d-glucuronide

    32. Baicalein 7-o-b-d-glucuronide

    33. Baikal Skullcap Extract Baicalin

    34. Unii-347q89u4m5

    35. Tjn-151

    36. Dtxsid701346569

    37. Baicalin, >=99.0% (hplc)

    38. Hy-n0197

    39. Zinc3943903

    40. Bdbm50242173

    41. Akos007930529

    42. Akos015955933

    43. Baicalin 1000 Microg/ml In Methanol

    44. Ac-7990

    45. Am84780

    46. Ccg-214128

    47. Cs-5302

    48. Beta-d-glucopyranosiduronic Acid, 5,6-dihydroxy-4-oxo-2-phenyl-4h-1-benzopyran-7-yl

    49. Baicalein 7-beta-d-glucopyranosiduronate

    50. Ncgc00386028-03

    51. (2s,3s,4s,5r,6s)-6-(5,6-dihydroxy-4-oxo-2-phenyl-chromen-7-yl)oxy-3,4, 5-trihydroxy-oxane-2-carboxylic Acid

    52. (2s,3s,4s,5r,6s)-6-(5,6-dihydroxy-4-oxo-2-phenyl-chromen-7-yl)oxy-3,4,5-trihydroxy-oxane-2-carboxylic Acid

    53. (2s,3s,4s,5r,6s)-6-(5,6-dihydroxy-4-oxo-2-phenyl-chromen-7-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic Acid

    54. As-13226

    55. Baicalein 7-o-glucuronide [usp-rs]

    56. 967b419

    57. A815791

    58. J-013512

    59. Q-100275

    60. Q2879368

    61. Brd-k49962337-001-01-1

    62. Baicalin, European Pharmacopoeia (ep) Reference Standard

    63. 5,6,7-trihydroxyflavone-7-o-.beta.-d-glucopyranosideuronic Acid

    64. 5,6-dihydroxy-4-oxo-2-phenyl-4h-chromen-7-yl Ss-d-glucopyranosiduronic Acid

    65. (2s,3s,4s,5r,6r)-6-(5,6-dihydroxy-4-oxo-2-phenyl-chromen-7-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic Acid

    66. (2s,3s,4s,5r,6s)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4h-chromen-7-yloxy)-3,4,5-trihydroxy-tetrahydro-2h-pyran-2-carboxylic Acid

    67. .beta.-d-glucopyranosiduronic Acid, 5,6-dihydroxy-4-oxo-2-phenyl-4h-1-benzopyran-7-yl

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 446.4 g/mol
    Molecular Formula C21H18O11
    XLogP31.1
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count4
    Exact Mass446.08491139 g/mol
    Monoisotopic Mass446.08491139 g/mol
    Topological Polar Surface Area183 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity748
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Infective Agents

    Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection. (See all compounds classified as Anti-Infective Agents.)

    Anti-Inflammatory Agents, Non-Steroidal

    Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. (See all compounds classified as Anti-Inflammatory Agents, Non-Steroidal.)

    Enzyme Inhibitors

    Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

    Anti-Asthmatic Agents

    Drugs that are used to treat asthma. (See all compounds classified as Anti-Asthmatic Agents.)

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