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    Demethoxycurcumin

    PharmaCompass
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    2D Structure
    Also known as: 22608-11-3, 24939-17-1, Curcumin ii, Monodemethoxycurcumin, Desmethoxycurcumin, Bhcfm
    Molecular Formula
    C20H18O5
    Molecular Weight
    338.4  g/mol
    InChI Key
    HJTVQHVGMGKONQ-LUZURFALSA-N
    FDA UNII
    W2F8059T80
    demethoxycurcumin is a natural product found in Curcuma amada, Curcuma aeruginosa, 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-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
    2.1.2 InChI
    InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3/b9-4+,10-5+
    2.1.3 InChI Key
    HJTVQHVGMGKONQ-LUZURFALSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC=C(C=C2)O)O
    2.1.5 Isomeric SMILES
    COC1=C(C=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
    W2F8059T80
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-hydroxycinnamoyl(feroyl)methane

    2. Curcumin Ii

    3. Demethoxy-curcumin

    4. Monodemethoxycurcumin

    2.3.2 Depositor-Supplied Synonyms

    1. 22608-11-3

    2. 24939-17-1

    3. Curcumin Ii

    4. Monodemethoxycurcumin

    5. Desmethoxycurcumin

    6. Bhcfm

    7. 4-hydroxycinnamoyl(feroyl)methane

    8. Demethoxy Curcumin

    9. 33171-16-3

    10. (1e,6e)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione

    11. Feruloyl-p-hydroxycinnnamoylmethane

    12. Curcuminii

    13. 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione

    14. (2e)-demethoxy Curcumin

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

    16. P-hydroxycinnamoylferuloylmethane

    17. Chebi:65737

    18. 4-hydroxycinnamoyl(feruloyl)methane

    19. Nsc687841

    20. (1e,6e)-1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxyphenyl)hepta-1,6-di Ene-3,5-dione

    21. W2f8059t80

    22. (e/z)-demethoxycurcumin

    23. Demethoxy-curcumin

    24. (1e,6e)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione

    25. (1e,6e)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-hepta-1,6-diene-3,5-dione

    26. 1,6-heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-, (1e,6e)-

    27. 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione

    28. Unii-w2f8059t80

    29. Mfcd03427310

    30. Feruloyl-p-coumaroylmethane

    31. (1e,6e)-demethoxycurcumin

    32. (e,e)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione

    33. Schembl431246

    34. Chembl105360

    35. Ins No.100(ii)

    36. Schembl2553051

    37. Demethoxycurcumin [inci]

    38. Schembl13521973

    39. Cid_5324476

    40. Hy-n0006a

    41. Ins-100(ii)

    42. Dtxsid00873751

    43. Desmethoxycurcumin [usp-rs]

    44. Zinc5115722

    45. Demethoxycurcumin, >=98% (hplc)

    46. Bdbm50163744

    47. E-100(ii)

    48. S9280

    49. Demethoxycurcumin, Analytical Standard

    50. Akos015903509

    51. Ccg-267896

    52. Nsc-687841

    53. Ac-34584

    54. Bs-48948

    55. Ls-14764

    56. Cs-0009120

    57. N1720

    58. A14545

    59. A910179

    60. 6-bromo-2-pyridin-4-yl-quinoline-4-carboxylicacid

    61. Q-100287

    62. Q5264607

    63. Desmethoxycurcumin (constituent Of Turmeric) [dsc]

    64. 1-(4-hydroxystyryl)-3-(3-methoxy-4-hydroxystyryl)propanedial

    65. (1e,6e)-1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxy-phenyl)-hepta-1,6-diene-3,5-dione

    66. 1,6-heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)- (van)

    67. 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione, 9ci

    68. 1-(4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-hepta-1,6-diene-3,5-dione

    69. 5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)hepta-1,4,6-trien-3-one

    70. (1e,4z,6e)-5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxy-phenyl)-hepta-1,4,6-trien-3-one

    71. (1e,6e)-1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 338.4 g/mol
    Molecular Formula C20H18O5
    XLogP33.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count7
    Exact Mass338.11542367 g/mol
    Monoisotopic Mass338.11542367 g/mol
    Topological Polar Surface Area83.8 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity502
    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

    Demethoxycurcumin has known human metabolites that include Demethoxycurcumin O-glucuronide.

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