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

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    Esculin

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    DOSSIERs // Finished Dosage Forms

    MARKET PLACE

    ANALYTICAL SOLUTION(s)

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    2D Structure
    Also known as: Aesculin, 531-75-9, Esculoside, Polychrome, Bicolorin, Enallachrome
    Molecular Formula
    C15H16O9
    Molecular Weight
    340.28  g/mol
    InChI Key
    XHCADAYNFIFUHF-TVKJYDDYSA-N
    FDA UNII
    1Y1L18LQAF
    A derivative of COUMARIN with molecular formula C15H16O9.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
    2.1.2 InChI
    InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1
    2.1.3 InChI Key
    XHCADAYNFIFUHF-TVKJYDDYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O
    2.1.5 Isomeric SMILES
    C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    1Y1L18LQAF
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Aesculin

    2. Esculoside

    3. Venoplant

    2.3.2 Depositor-Supplied Synonyms

    1. Aesculin

    2. 531-75-9

    3. Esculoside

    4. Polychrome

    5. Bicolorin

    6. Enallachrome

    7. (-)-esculin

    8. Crataegin

    9. Escosyl

    10. Esculine

    11. Polychrom

    12. 6,7-dihydroxycoumarin 6-glucoside

    13. Esculetin 6-o-glucoside

    14. Vitamin C2

    15. Esculetin 6-beta-d-glucoside

    16. 6,7-dihydroxycoumarin-6-o-glucoside

    17. Aesculinum

    18. 6-(beta-d-glucopyranosyloxy)-7-hydroxy-cumarin

    19. Chebi:4853

    20. 7-hydroxy-6-cumarinyl-glucosid

    21. Nsc-26665

    22. 7-hydroxy-6-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)-2h-chromen-2-one

    23. 6-(beta-d-glucopyranosyloxy)-7-hydroxy-2h-1-benzopyran-2-one

    24. 1y1l18lqaf

    25. 7-hydroxy-6-glucosyloxy-2h-chromene

    26. Venoplant

    27. 7-hydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

    28. Esculoside [jan]

    29. 7-hydroxy-2-oxo-2h-chromen-6-yl Beta-d-glucopyranoside

    30. 6-(.beta.-d-glucopyranosyloxy)-7-hydroxy-2h-1-benzopyran-2-one

    31. Aesculetin Glukosid

    32. 6-[(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-chromen-2-one

    33. 7-hydroxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy- 6-(hydroxymethyl)-2-tetrahydropyranyl]oxy}-2-chromenone

    34. 66778-17-4

    35. Unii-1y1l18lqaf

    36. Schillerstoff

    37. Esculina

    38. Ccris 5724

    39. Sr-01000633930

    40. 2h-1-benzopyran-2-one, 6-(.beta.-d-glucopyranosyloxy)-7-hydroxy-

    41. Esculetin Glukosid

    42. Ncgc00016491-01

    43. Cas-531-75-9

    44. Aesculin (esculin)

    45. Einecs 208-517-5

    46. 7-hydroxy-6-glucosyloxy-2h-chromen

    47. Nsc 26665

    48. Spectrum_000361

    49. Esculin [inci]

    50. Esculin [mi]

    51. Spectrum2_000576

    52. Spectrum3_000731

    53. Spectrum4_001923

    54. Spectrum5_000845

    55. Aesculinum [hpus]

    56. Esculetin 6-b-d-glucoside

    57. Schembl2893

    58. Dsstox_cid_25318

    59. Dsstox_rid_80798

    60. Esculoside [who-dd]

    61. Dsstox_gsid_45318

    62. Bspbio_002282

    63. Kbiogr_002266

    64. Kbioss_000841

    65. Divk1c_000956

    66. Spectrum1500901

    67. Spbio_000392

    68. Chembl482581

    69. Dtxsid7045318

    70. Bcbcmap01_000202

    71. Esculetin 6-.beta.-d-glucoside

    72. Hms502p18

    73. Kbio1_000956

    74. Kbio2_000841

    75. Kbio2_003409

    76. Kbio2_005977

    77. Kbio3_001502

    78. Ninds_000956

    79. Hms1921m16

    80. 2h-1-benzopyran-2-one, 6-(beta-d-glucopyranosyloxy)-7-hydroxy-

    81. Ex-a6781

    82. Hy-n0188

    83. Zinc3860441

    84. Tox21_110453

    85. Bdbm50480261

    86. Ccg-38501

    87. Mfcd00006879

    88. S2258

    89. Akos015895151

    90. Db13155

    91. Sdccgmls-0066653.p001

    92. Idi1_000956

    93. Smp1_000008

    94. Ncgc00094874-04

    95. Cs-0007892

    96. N1766

    97. 7-hydroxycoumarin-6-yl Beta-d-glucopyranoside

    98. C09264

    99. 6-(.beta.-d-glucopyranosyloxy)-7-hydroxy-cumarin

    100. A829428

    101. Q376432

    102. Sr-01000633930-1

    103. Sr-01000633930-3

    104. Brd-k51742987-001-02-3

    105. Brd-k51742987-002-02-1

    106. Esculin, European Pharmacopoeia (ep) Reference Standard

    107. 7-hydroxy-6-((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)-2h-chromen-2-one

    108. 7-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one Hydrate;esculin Sesquihydrate

    109. 7ou

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 340.28 g/mol
    Molecular Formula C15H16O9
    XLogP3-0.6
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count3
    Exact Mass340.07943208 g/mol
    Monoisotopic Mass340.07943208 g/mol
    Topological Polar Surface Area146 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity495
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    As medication, esculin is sometimes used as a vasoprotective agent. Esculin is also used in a microbiology laboratory to aid in the identification of bacterial species (especially Enterococci and Listeria), as all strains of Group D Streptococci hydrolyze sculin in 40% bile.

    5 Pharmacology and Biochemistry
    5.1 Pharmacology

    Topically applied Esculine increases the capillary density (the number of capillaries open to flow per surface unit) and improves the morphological aspect of the smallest blood vessels.

    5.2 Absorption, Distribution and Excretion

    Absorption

    Rarely, absorbed into the blood stream if used as a combination with other ingredients in suppository form. But, Applying cream or ointment form to open wound or skin may lead this drug to absorb and circulate into blood stream.

    5.3 Metabolism/Metabolites

    After oral administration of esculin (100 mg/kg) for rats, plasma, urine, feces and bile samples were collected to screen metabolites. As a result, a total of 19 metabolites (10 phase I metabolites and 9 phase II metabolites) were found and identified. It was also found that after oral administration of esculin, the esculin could be metabolized to esculetin in vivo via deglycosylation, and esculetin was found in all biological samples.

    5.4 Biological Half-Life

    Absorption half life about 1 hour and elimination half life about 20 hours

    5.5 Mechanism of Action

    The main activities of Esculine focus on capillary protection, as it improves capillary permeability and fragility. It is reported to inhibit catabolic enzymes such as hyaluronidase and collagenase, thus preserving the integrity of the perivascular connective tissue. Esculine also showed good antioxidant properties, protecting triglycerides against auto-oxidation at high temperatures . The antioxidant property might as well explain some of the anti-inflammatory activity of the product, making it a suitable product for after sun treatments, for example.

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