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    Narirutin

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 14259-46-2, Isonaringin, Isonaringenin, Naringenin-7-o-rutinoside, Naringenin 7-o-rutinoside, (2s)-narirutin
    Molecular Formula
    C27H32O14
    Molecular Weight
    580.5  g/mol
    InChI Key
    HXTFHSYLYXVTHC-AJHDJQPGSA-N
    FDA UNII
    06M5EAT0YC
    narirutin is a natural product found in Cyclopia subternata, Citrus latipes, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
    2.1.2 InChI
    InChI=1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
    2.1.3 InChI Key
    HXTFHSYLYXVTHC-AJHDJQPGSA-N
    2.1.4 Canonical SMILES
    CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
    2.1.5 Isomeric SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    06M5EAT0YC
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 14259-46-2

    2. Isonaringin

    3. Isonaringenin

    4. Naringenin-7-o-rutinoside

    5. Naringenin 7-o-rutinoside

    6. (2s)-narirutin

    7. Chebi:28705

    8. 06m5eat0yc

    9. (2s)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2h-chromen-7-yl 6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranoside

    10. (s)-5-hydroxy-2-(4-hydroxyphenyl)-7-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-((((2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)methyl)tetrahydro-2h-pyran-2-yl)oxy)chroman-4-one

    11. Mfcd00017316

    12. Naringenin 7-beta-rutinoside

    13. Fema No. 2769

    14. Brovincaminefumarte

    15. Einecs 238-138-0

    16. Naringen

    17. Naringin Extract (citrus Paradisi Macf.)

    18. Narirutin [inci]

    19. Unii-06m5eat0yc

    20. Isonaringin [usp-rs]

    21. Schembl669946

    22. Chembl446246

    23. Narirutin, >=98% (hplc)

    24. Dtxsid30931535

    25. Hy-n0804

    26. Zinc8234300

    27. Bdbm50249471

    28. S9242

    29. Naringenin 7.beta.-rutinoside

    30. Akos030530132

    31. Ccg-270129

    32. (2s)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

    33. As-75180

    34. Cs-0009810

    35. N1696

    36. C09793

    37. 259n462

    38. Flavanone, 4',5,7-trihydroxy-, 7-beta-rutinoside

    39. Q-100159

    40. Q13569061

    41. Flavanone, 4',5,7-trihydroxy-, 7.beta.-rutinoside

    42. (2s)-5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2h-1-benzopyran-4-one

    43. (2s)-7-((6-o-(6-deoxy-.alpha.-l-mannopyranosyl)-.beta.-d-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4h-1-benzopyran-4-one

    44. (s)-5-hydroxy-2-(4-hydroxyphenyl)-7-((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(((2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yloxy)methyl)tetrahydro-2h-pyran-2-yloxy)chroman-4-one

    45. (s)-7-((6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4h-1-benzopyran-4-one

    46. 4h-1-benzopyran-4-one, 7-((6-o-(6-deoxy-.alpha.-l-mannopyranosyl)-.beta.-d-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2s)-

    47. 4h-1-benzopyran-4-one, 7-((6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranoxyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (s)-

    48. 4h-1-benzopyran-4-one,7-[[6-o-(6-deoxy-a-l-mannopyranosyl)-b-d-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2s)-

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 580.5 g/mol
    Molecular Formula C27H32O14
    XLogP3-1.1
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count14
    Rotatable Bond Count6
    Exact Mass580.17920569 g/mol
    Monoisotopic Mass580.17920569 g/mol
    Topological Polar Surface Area225 Ų
    Heavy Atom Count41
    Formal Charge0
    Complexity884
    Isotope Atom Count0
    Defined Atom Stereocenter Count11
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1