loader
Please Wait
Applying Filters...

Suanfarma Suanfarma

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

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

    Client Email Product
    Menu

    Bisdemethoxycurcumin

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: 33171-05-0, 24939-16-0, Curcumin iii, Didemethoxycurcumin, (1e,6e)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione, Bis(4-hydroxycinnamoyl)methane
    Molecular Formula
    C19H16O4
    Molecular Weight
    308.3  g/mol
    InChI Key
    PREBVFJICNPEKM-YDWXAUTNSA-N
    FDA UNII
    2EFO1BP34R
    bisdemethoxycurcumin is a natural product found in Curcuma amada, Curcuma kwangsiensis, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
    2.1.2 InChI
    InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-12,20-21H,13H2/b11-5+,12-6+
    2.1.3 InChI Key
    PREBVFJICNPEKM-YDWXAUTNSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C=CC(=O)CC(=O)C=CC2=CC=C(C=C2)O)O
    2.1.5 Isomeric SMILES
    C1=CC(=CC=C1/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    2EFO1BP34R
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1,6-heptadiene-3,5-dione, 1,7-bis(4-hydroxyphenyl)-

    2. Bis(4-hydroxycinnamoyl)methane

    3. Bisdemethoxy-curcumin

    2.3.2 Depositor-Supplied Synonyms

    1. 33171-05-0

    2. 24939-16-0

    3. Curcumin Iii

    4. Didemethoxycurcumin

    5. (1e,6e)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione

    6. Bis(4-hydroxycinnamoyl)methane

    7. Bis-demethoxycurcumin

    8. Bisdesmethoxycurcumin

    9. Bisdemethoxycucurmin

    10. Bis(p-hydroxycinnamoyl)methane

    11. (e,e)-bisdemethoxycurcumin

    12. 1,6-heptadiene-3,5-dione, 1,7-bis(4-hydroxyphenyl)-

    13. Nsc687839

    14. 2efo1bp34r

    15. 1,7-bis(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione

    16. Chembl105350

    17. Chebi:71045

    18. (1e,6e)-1,7-bis(4-hydroxyphenyl)-hepta-1,6-diene-3,5-dione

    19. 1,6-heptadiene-3,5-dione, 1,7-bis(4-hydroxyphenyl)-, (1e,6e)-

    20. 1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione

    21. 22608-12-4

    22. Bhcmt

    23. Unii-2efo1bp34r

    24. Curcumin Lll

    25. Curcuminoid A

    26. Bisdemethoxy Curcumin

    27. Di-p-coumaroylmethane

    28. Dide Methoxycurcu Min

    29. Ins No.100(iii)

    30. Schembl428638

    31. Ins-100(iii)

    32. Schembl13521971

    33. Cid_5324473

    34. Hy-n0007a

    35. Dtxsid00872663

    36. E-100(iii)

    37. Zaa93916

    38. Zinc1651126

    39. 1,3-di(4-hydroxystyryl)propanedial

    40. Bis-demethoxycurcumin [inci]

    41. Bdbm50059989

    42. Mfcd03419284

    43. Bisdesmethoxycurcumin [usp-rs]

    44. Akos015902102

    45. Ccg-207959

    46. Ccg-208635

    47. Nsc-687839

    48. Bisdemethoxycurcumin, Analytical Standard

    49. Ac-24239

    50. Ac-34720

    51. Adamantan-1-yl-aceticacidhydrazide

    52. As-57295

    53. As-68737

    54. B3347

    55. Bisdemethoxycurcumin, >=98% (hplc), Solid

    56. Cs-0018287

    57. N1712

    58. S3938

    59. A14544

    60. A875406

    61. Q-100322

    62. Q4917168

    63. Brd-k37445107-001-01-9

    64. 1,7-bis(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione(e,e)

    65. (1e,6e)-1,7-bis(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione

    66. 1,7-bis(4-hydroxyphenyl)-3-hydroxy-1,3,6-heptatrien-5-one

    67. 1,7-bis-(4-hydroxyphenyl)-hepta-1,6-diene-3,5-dione

    68. Bisdesmethoxycurcumin (constituent Of Turmeric) [dsc]

    69. (1e,6e)-1,7-bis-(4-hydroxy-phenyl)-hepta-1,6-diene-3,5-dione

    70. 1,6-heptadiene-3,5-dione, 1,7-bis(4-hydroxyphenyl)-, (e,e)-

    71. 5-hydroxy-1,7-bis-(4-hydroxy-phenyl)-hepta-1,4,6-trien-3-one

    72. (1e,4z,6e)-5-hydroxy-1,7-bis-(4-hydroxy-phenyl)-hepta-1,4,6-trien-3-one

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 308.3 g/mol
    Molecular Formula C19H16O4
    XLogP33.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass308.10485899 g/mol
    Monoisotopic Mass308.10485899 g/mol
    Topological Polar Surface Area74.6 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity408
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 Metabolism/Metabolites

    Bisdemethoxycurcumin has known human metabolites that include Bisdemethoxycurcumin, 4-O-glucuronide.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560

    Post Enquiry
    POST ENQUIRY