CAS 888-12-0

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Also known as: 1214-47-7, 888-12-0, O-hydroxychalcone, (e)-2'-hydroxychalcone, Chalcone, 2'-hydroxy-, 1-(2-hydroxyphenyl)-3-phenyl-2-propen-1-one

Molecular Formula

C₁₅H₁₂O₂

Molecular Weight

224.25 g/mol

InChI Key

AETKQQBRKSELEL-ZHACJKMWSA-N

FDA UNII

VY06DZ94OC

2'-hydroxychalcone is a natural product found in Cryptocarya concinna with data available.

1 2D Structure

CAS 888-12-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(E)-1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one

2.1.2 InChI

InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H/b11-10+

2.1.3 InChI Key

AETKQQBRKSELEL-ZHACJKMWSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2O

2.1.5 Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2O

2.2 Other Identifiers

2.2.1 UNII

VY06DZ94OC

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1214-47-7

2. 888-12-0

3. O-hydroxychalcone

4. (e)-2'-hydroxychalcone

5. Chalcone, 2'-hydroxy-

6. 1-(2-hydroxyphenyl)-3-phenyl-2-propen-1-one

7. (e)-1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one

8. (2e)-1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one

9. Ccris 7796

10. 1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one

11. Nsc 18939

12. Acrylophenone, 2'-hydroxy-3-phenyl-

13. 2-propen-1-one, 1-(2-hydroxyphenyl)-3-phenyl-

14. 1-(2-hydroxyphenyl)-3-phenyl-2-propenone

15. Vy06dz94oc

16. Chebi:27916

17. Cmldbu00002599

18. Nsc-18939

19. (2e)-1-(2-hydroxyphenyl)-3-phenyl-2-propen-1-one

20. Nsc-170284

21. 2-propen-1-one, 1-(2-hydroxyphenyl)-3-phenyl-, (2e)-

22. Einecs 214-928-0

23. Unii-vy06dz94oc

24. Brn 0976324

25. O-cinnamoylphenol

26. Chalcone, 6

27. Einecs 212-962-0

28. 2''-hydroxychalcone

29. 2\'-hydroxychalcone

30. 1-(2-hydroxy-phenyl)-3-phenyl-propenone

31. Trans-2'-hydroxychalcone

32. 2-hydroxybenzalacetophenone

33. 2-08-00-00220 (beilstein Handbook Reference)

34. Mls000438917

35. Chembl32147

36. 2-benzal-2'-hydroxyacetophenone

37. Bdbm86007

38. Rvc-556

39. Dtxsid001313416

40. Hms2206a17

41. Nsc18939

42. 2-benzylidene-2'-hydroxyacetophenone

43. Mfcd00016441

44. Nsc170284

45. Stl015897

46. Zinc12359992

47. Akos002346618

48. Akos025311108

49. Ccg-102277

50. Cs-w013065

51. Chalcone, 2'-hydroxy-, (e)-

52. Ncgc00017803-02

53. Ncgc00017803-03

54. Ncgc00017803-06

55. Ncgc00161072-01

56. Ncgc00161072-02

57. As-16009

58. Ls-14376

59. Smr000112946

60. H0385

61. 3-phenyl-1-(2-hydroxyphenyl)-2-propen-1-one

62. C09321

63. H-4450

64. 1-(2-hydroxyphenyl)-3-phenyl-2-propenone, 98%

65. Ae-848/32054053

66. Sr-01000721424

67. Sr-01000721424-2

68. W-109608

69. (e)-1-(2-hydroxyphenyl)-3-phenyl-prop-2-en-1-one

70. Brd-k52053379-001-02-0

71. Q27103405

72. 2-propen-1-one, 1-(2-hydroxyphenyl)-3-phenyl-, (e)-

73. (5z)-5-[(2e)-3-phenyl-1-hydroxyallylidene]-1,3-cyclohexadiene-6-one

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₂O₂
Molecular Weight	224.25 g/mol
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	224.083729621 g/mol
Monoisotopic Mass	224.083729621 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	277
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 Metabolism/Metabolites

2p-Hydroxychalcone has known human metabolites that include 2p-Hydroxychalcone, 2p-hydroxy-glucuronide.

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

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