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    Technical details about MolPort-001-740-436, learn more about the structure, uses, toxicity, action, side effects and more

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    MolPort-001-740-436

    ANALYTICAL SOLUTION(s)

    PharmaCompass

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

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    Also known as: 17912-87-7, Myricitroside, Myricetrin, Myricitrine, Myricetin 3-o-rhamnoside, Myricetol 3-rhamnoside
    Molecular Formula
    C21H20O12
    Molecular Weight
    464.4  g/mol
    InChI Key
    DCYOADKBABEMIQ-OWMUPTOHSA-N
    FDA UNII
    5Z0ZO61WPJ
    myricitrin is a natural product found in Syzygium levinei, Limonium aureum, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
    2.1.2 InChI
    InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1
    2.1.3 InChI Key
    DCYOADKBABEMIQ-OWMUPTOHSA-N
    2.1.4 Canonical SMILES
    CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O
    2.1.5 Isomeric SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    5Z0ZO61WPJ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3,3',4',5,5',7-hexahydroxyflavone 3-rhamnoside

    2.3.2 Depositor-Supplied Synonyms

    1. 17912-87-7

    2. Myricitroside

    3. Myricetrin

    4. Myricitrine

    5. Myricetin 3-o-rhamnoside

    6. Myricetol 3-rhamnoside

    7. Myricetin 3-rhamnoside

    8. Myricetin 3-o-alpha-l-rhamnopyranoside

    9. 5z0zo61wpj

    10. Mls000574998

    11. Chebi:70082

    12. Nsc19803

    13. Nsc-19803

    14. 5,7-dihydroxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

    15. Smr000232363

    16. Myricetin 3-o-alpha-l-rhamnoside

    17. 3-((6-deoxy-alpha-l-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4h-benzopyran-4-one

    18. 5,7-dihydroxy-3-(((2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)-2-(3,4,5-trihydroxyphenyl)-4h-chromen-4-one

    19. 3,3',4',5,5',7-hexahydroxyflavone, 3-rhamnoside

    20. Mfcd00016930

    21. 3-[(6-deoxy-alpha-l-mannopyranosyl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4h-1-benzopyran-4-one

    22. 4h-1-benzopyran-4-one, 3-[(6-deoxy-.alpha.-l-mannopyranosyl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-

    23. 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4h-chromen-3-yl 6-deoxy-alpha-l-mannopyranoside

    24. Flavone,3,3',4',5,5',7-hexahydroxy-,3-rhamnoside

    25. Unii-5z0zo61wpj

    26. Myricitrin (7)

    27. 4h-1-benzopyran-4-one, 3-((6-deoxy-.alpha.-l-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-

    28. Myricetin 3-o-.alpha.-l-rhamnopyranoside

    29. Einecs 241-856-7

    30. Nsc 19803

    31. Myricetin-3-rhamnoside

    32. Myricetin 3- Rhamnoside

    33. Myricitrin (myricitrine)

    34. Myricitrin [inci]

    35. 5,7-dihydroxy-3-((2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-2-(3,4,5-trihydroxy-phenyl)-1-benzopyran-4-one

    36. Schembl226022

    37. Myricitrin, Analytical Standard

    38. Chembl522983

    39. Megxp0_000257

    40. Fema No. 4491

    41. Acon1_000103

    42. Bdbm34753

    43. Cid_5281673

    44. Dtxsid40170771

    45. Bdbm153266

    46. Hms2218n08

    47. 5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

    48. Hy-n0152

    49. Myricitrin, >=99.0% (hplc)

    50. Zinc4098556

    51. Ac-638

    52. Myricetin 3-o-rhamnopyranoside

    53. Akos015896842

    54. Ccg-208406

    55. Ncgc00163596-01

    56. Ncgc00163596-02

    57. 5,7-dihydroxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

    58. Bs-16289

    59. Cs-0007883

    60. N1274

    61. S2327

    62. (3-phenylaminocarbonylphenyl)boronicacid

    63. Myricetin 3-o-.alpha.-l-rhamnpyronoside

    64. 912m877

    65. Sr-01000712005

    66. Myricitrin, Primary Pharmaceutical Reference Standard

    67. Q6948223

    68. Sr-01000712005-3

    69. 3-[(2s,3r,4r,5r,6s)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one

    70. 3-[(6-deoxy-

    71. A-l-mannopyranosyl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4h-benzopyran-4-one

    72. 5,7-dihydroxy-3-((2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yloxy)-2-(3,4,5-trihydroxyphenyl)-4h-chromen-4-one

    73. 5,7-dihydroxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromone

    74. 5,7-dihydroxy-3-[[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-4-one

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 464.4 g/mol
    Molecular Formula C21H20O12
    XLogP30.5
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count3
    Exact Mass464.09547607 g/mol
    Monoisotopic Mass464.09547607 g/mol
    Topological Polar Surface Area207 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity760
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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