loader
Please Wait
Applying Filters...

Metrochem API Private Limited Metrochem API Private Limited

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

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

    Client Email Product
    Menu

    Aloin B

    PharmaCompass

    Veranova: A CDMO that manages complexity with confidence.

    Axplora- The partner of choice for complex APIs.

    2D Structure
    1. Also known as: Aloin b, 28371-16-6, Isobarbaloin, 69vib0j2wk, Chembl3617994, Aloin a
    Molecular Formula
    C21H22O9
    Molecular Weight
    418.4  g/mol
    InChI Key
    AFHJQYHRLPMKHU-WEZNYRQKSA-N
    FDA UNII
    69VIB0J2WK
    barbaloin is a natural product found in Aloe africana, Aloe castanea, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (10R)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
    2.1.2 InChI
    InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14-,17-,19+,20-,21+/m1/s1
    2.1.3 InChI Key
    AFHJQYHRLPMKHU-WEZNYRQKSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO
    2.1.5 Isomeric SMILES
    C1=CC2=C(C(=C1)O)C(=O)C3=C([C@@H]2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C(C=C3O)CO
    2.2 Other Identifiers
    2.2.1 UNII
    69VIB0J2WK
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Alloin

    2. Aloin A

    3. Aloin B

    2.3.2 Depositor-Supplied Synonyms

    1. Aloin B

    2. 28371-16-6

    3. Isobarbaloin

    4. 69vib0j2wk

    5. Chembl3617994

    6. Aloin A

    7. 8015-61-0

    8. 10r-beta-d-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10h)-anthracenone

    9. (1s)-1,5-anhydro-1-[(9r)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]-d-glucitol

    10. 5133-19-7

    11. Aloin (mixture Of A And B)

    12. Unii-69vib0j2wk

    13. Aloin, From Curacao Aloe, ~50%

    14. Ncgc00183867-01

    15. Barbaloin B

    16. Aloin B; Isobarbaloin

    17. Aloin B [mi]

    18. Schembl181616

    19. Chebi:74131

    20. Dtxsid70904581

    21. 9(10h)-anthracenone, 10-.beta.-d-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-, (10s)-

    22. Hy-n0886

    23. Zinc4214775

    24. Bdbm50120492

    25. Mfcd00869345

    26. Akos026749813

    27. Cs-3708

    28. Gs-6457

    29. 9(10h)-anthracenone, 10-beta-d-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-, (r)-

    30. Ncgc00389730-01

    31. (10r)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10h-anthracen-9-one

    32. Ac-34434

    33. Ft-0655437

    34. N1913

    35. C17778

    36. H12077

    37. A901212

    38. A916079

    39. W-202188

    40. Q27144440

    41. 1,8-dihydroxy-10-(ss-d-glucopyranosyl)-3-(hydroxymethyl)-9(10h)-anthracenone

    42. 10-ss-d-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10h)-anthracenone

    43. 9(10h)-anthracenone,10-b-d-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-,(10r)-

    44. (10r)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracen-9-one

    45. (10r)-10-.beta.-d-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10h)-anthracenone

    46. 9(10h)-anthracenone, 10-.beta.-d-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-, (10r)-

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 418.4 g/mol
    Molecular Formula C21H22O9
    XLogP3-0.1
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count3
    Exact Mass418.12638228 g/mol
    Monoisotopic Mass418.12638228 g/mol
    Topological Polar Surface Area168 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity630
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Cathartics

    Agents that are used to stimulate evacuation of the bowels. (See all compounds classified as Cathartics.)

    Post Enquiry
    POST ENQUIRY