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

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    Isoorientin

    REF. STANDARDS & IMPURITIES

    PharmaCompass

    Boai NKY Pharmaceuticals Ltd. is one of the largest global PVP suppliers.

    Renejix: CDMO with expertise in small molecule oral dosage, delivery tech, and multi-modality manufacturing.

    2D Structure
    1. Also known as: Homoorientin, 4261-42-1, Lespecapitioside, Luteolin-6-c-glucoside, Luteolin 6-c-glucoside, 2-(3,4-dihydroxyphenyl)-6-beta-d-glucopyranosyl-5,7-dihydroxy-4h-1-benzopyran-4-one
    Molecular Formula
    C21H20O11
    Molecular Weight
    448.4  g/mol
    InChI Key
    ODBRNZZJSYPIDI-VJXVFPJBSA-N
    FDA UNII
    A37342TIX1
    isoorientin is a natural product found in Carex fraseriana, Itea omeiensis, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
    2.1.2 InChI
    InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1
    2.1.3 InChI Key
    ODBRNZZJSYPIDI-VJXVFPJBSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O)O
    2.1.5 Isomeric SMILES
    C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    A37342TIX1
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 6-glc-luteolin

    2. Homoorientin

    3. Iso-orientin

    4. Luteolin-6-c-glucoside

    2.3.2 Depositor-Supplied Synonyms

    1. Homoorientin

    2. 4261-42-1

    3. Lespecapitioside

    4. Luteolin-6-c-glucoside

    5. Luteolin 6-c-glucoside

    6. 2-(3,4-dihydroxyphenyl)-6-beta-d-glucopyranosyl-5,7-dihydroxy-4h-1-benzopyran-4-one

    7. Chebi:17965

    8. Luteolin-6-c-beta-d-glucoside

    9. A37342tix1

    10. Iso-orientin

    11. (1s)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-chromen-6-yl]-d-glucitol

    12. 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-((2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)-4h-chromen-4-one

    13. 2-[3,4-bis(oxidanyl)phenyl]-6-[(2s,3r,4r,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one

    14. 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

    15. Homoori-entin

    16. Unii-a37342tix1

    17. 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-beta-d-glucopyranosyl-5,7-dihydroxy-

    18. Mfcd00017433

    19. Lutonaretin

    20. Homoorientin; Isoorientin

    21. Schembl23761

    22. Mls002473101

    23. Chembl239559

    24. Isoorientin, Analytical Standard

    25. Luteolin 6-c-bet.-d-glucoside

    26. Isoorientin, >=98% (hplc)

    27. Dtxsid50962609

    28. 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-.beta.-d-glucopyranosyl-5,7-dihydroxy-

    29. Luteolin-6-c-b-d-glucopyranoside

    30. Hms2225d20

    31. Hy-n0767

    32. Zinc4349262

    33. Isoorientin, >=98.0% (hplc)

    34. Bdbm50487756

    35. S9248

    36. Akos015896766

    37. Ccg-208392

    38. Cs-7515

    39. Ncgc00163566-01

    40. Ac-34983

    41. As-56302

    42. Smr001397203

    43. I1087

    44. C01821

    45. 261h421

    46. Q-100474

    47. Q3155592

    48. Isoorientin, Primary Pharmaceutical Reference Standard

    49. 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one

    50. H9r

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 448.4 g/mol
    Molecular Formula C21H20O11
    XLogP3-0.2
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count3
    Exact Mass448.10056145 g/mol
    Monoisotopic Mass448.10056145 g/mol
    Topological Polar Surface Area197 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity729
    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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