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

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    Aloenin

    REF. STANDARDS & IMPURITIES

    PharmaCompass

    Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

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

    2D Structure
    1. Also known as: Aloenin a, 38412-46-3, Aloearbonaside, An96cw6csu, 6-[4-hydroxy-2-methyl-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one, 2h-pyran-2-one, 6-[2-(.beta.-d-glucopyranosyloxy)-4-hydroxy-6-methylphenyl]-4-methoxy-
    Molecular Formula
    C19H22O10
    Molecular Weight
    410.4  g/mol
    InChI Key
    KFJNVVJUICKJEQ-LQDZTQBFSA-N
    FDA UNII
    AN96CW6CSU
    6-(4-hydroxy-2-methyl-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4-methoxypyran-2-one is a natural product found in Aloe africana, Aloe nyeriensis, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one
    2.1.2 InChI
    InChI=1S/C19H22O10/c1-8-3-9(21)4-11(15(8)12-5-10(26-2)6-14(22)27-12)28-19-18(25)17(24)16(23)13(7-20)29-19/h3-6,13,16-21,23-25H,7H2,1-2H3/t13-,16-,17+,18-,19-/m1/s1
    2.1.3 InChI Key
    KFJNVVJUICKJEQ-LQDZTQBFSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=CC(=C1C2=CC(=CC(=O)O2)OC)OC3C(C(C(C(O3)CO)O)O)O)O
    2.1.5 Isomeric SMILES
    CC1=CC(=CC(=C1C2=CC(=CC(=O)O2)OC)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
    AN96CW6CSU
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Aloenin A

    2. 38412-46-3

    3. Aloearbonaside

    4. An96cw6csu

    5. 6-[4-hydroxy-2-methyl-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one

    6. 2h-pyran-2-one, 6-[2-(.beta.-d-glucopyranosyloxy)-4-hydroxy-6-methylphenyl]-4-methoxy-

    7. 2h-pyran-2-one, 6-(2-(.beta.-d-glucopyranosyloxy)-4-hydroxy-6-methylphenyl)-4-methoxy-

    8. Mfcd08275450

    9. Unii-an96cw6csu

    10. Aloenin A, Analytical Standard

    11. Megxp0_001070

    12. Acon0_001054

    13. Acon1_000758

    14. Dtxsid10191751

    15. Chebi:176869

    16. Hy-n0495

    17. Zinc6070013

    18. Aloenin, >=95% (lc/ms-elsd)

    19. Ncgc00169388-01

    20. Ac-34455

    21. Cs-0009016

    22. A831563

    23. Brd-k20250782-001-01-4

    24. 2h-pyran-2-one, 6-(2-(beta-d-glucopyranosyloxy)-4-hydroxy-6-methylphenyl)-4-methoxy-

    25. 4-methoxy-6-(2'-beta-glucopyranosyloxy-4'-hydroxy-6'-methylphenyl)-2-pyrone

    26. 6-[2-(beta-d-glucopyranosyloxy)-4-hydroxy-6-methylphenyl]-4-methoxy-2h-pyran-2-one

    27. 6-(2-(.beta.-d-glucopyranosyloxy)-4-hydroxy-6-methylphenyl)-4-methoxy-2h-pyran-2-one

    28. 6-[2-[(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-4-oxidanyl-phenyl]-4-methoxy-pyran-2-one

    29. 6-[4-hydroxy-2-methyl-6-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-4-methoxy-2-pyranone

    30. Ncgc00169388-03!6-[4-hydroxy-2-methyl-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 410.4 g/mol
    Molecular Formula C19H22O10
    XLogP30
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count5
    Exact Mass410.12129689 g/mol
    Monoisotopic Mass410.12129689 g/mol
    Topological Polar Surface Area155 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity661
    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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