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Also known as: 60-82-2, Dihydronaringenin, 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one, Phloretol, 1-propanone, 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-, Dtxsid6022393

Molecular Formula

C₁₅H₁₄O₅

Molecular Weight

274.27 g/mol

InChI Key

VGEREEWJJVICBM-UHFFFAOYSA-N

FDA UNII

S5J5OE47MK

A natural dihydrochalcone found in apples and many other fruits.

1 2D Structure

Phloretin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one

2.1.2 InChI

InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2

2.1.3 InChI Key

VGEREEWJJVICBM-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

S5J5OE47MK

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 60-82-2

2. Dihydronaringenin

3. 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one

4. Phloretol

5. 1-propanone, 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-

6. Dtxsid6022393

7. S5j5oe47mk

8. Nsc-407292

9. Dtxcid702393

10. Fema No. 4390

11. Chebi:17276

12. 2',4,4',6'-tetrahydroxydihydrochalcone

13. 2',4,4',6'-tetrahydroxy-dihydrochalcone

14. Refchem:861869

15. 200-488-7

16. Mfcd00002288

17. 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone

18. Nsc 407292

19. 2',4',6'-trihydroxy-3-(4-hydroxyphenyl)-propiophenone

20. Beta-(p-hydroxyphenyl)phloropropiophenone

21. 2',4',6'-trihydroxy-3-(p-hydroxyphenyl)propiophenone

22. 2',4',6'-trihydroxy-3-(4-hydroxyphenyl)propiophenone

23. Nsc407292

24. Beta-(p-hydroxyphenyl)-2,4,6-trihydroxypropiophenone

25. Beta-(4-hydroxyphenyl)-2,4,6-trihydroxypropiophenone

26. Chembl45068

27. Propiophenone, 2',4',6'-trihydroxy-3-(p-hydroxyphenyl)-

28. .beta.-(p-hydroxyphenyl)phloropropiophenone

29. Nsc 407292;rjc 02792

30. Smr000326783

31. Ccris 7459

32. Sr-01000076081

33. Einecs 200-488-7

34. Unii-s5j5oe47mk

35. 2uxi

36. G50

37. Icaritin Impurity 7

38. Phloretin (standard)

39. Spectrum_001295

40. 4,2',4',6'-tetrahydroxydihydrochalcone

41. Phloretin, >=99%

42. Specplus_000333

43. Phloretin [mi]

44. Spectrum2_000681

45. Spectrum3_001036

46. Spectrum4_001172

47. Spectrum5_001698

48. Lopac-p-7912

49. Cid_4788

50. Lopac0_001012

51. Oprea1_824722

52. Regid_for_cid_4788

53. Schembl38131

54. Bspbio_002851

55. Kbiogr_001803

56. Kbioss_001775

57. Spectrum300554

58. Mls000728507

59. Mls000859922

60. Mls006012024

61. Bidd:er0174

62. Divk1c_006429

63. Spbio_000801

64. Gtpl4285

65. Orb1304838

66. Bcbcmap01_000040

67. Bdbm23446

68. Hy-n0142r

69. Kbio1_001373

70. Kbio2_001775

71. Kbio2_004343

72. Kbio2_006911

73. Kbio3_002071

74. Phloretin - Cas 60-82-2

75. Bp_35

76. Hms2224n17

77. Hms3263k05

78. Hms3332j03

79. Hms3656i07

80. Hy-n0142

81. Tnp00255

82. Tox21_202854

83. Tox21_501012

84. Ccg-38573

85. Hb0500

86. Lmpk12120525

87. Msk000821

88. O1p165

89. S2342

90. Sbb066137

91. Stl372996

92. Akos015856338

93. Ac-7995

94. Cs-1477

95. Db07810

96. Fp06961

97. Lp01012

98. Sdccgmls-0066637.p001

99. Sdccgsbi-0050985.p003

100. Cas-60-82-2

101. Phloretin, Analytical Reference Material

102. Smp1_000238

103. Ncgc00015840-01

104. Ncgc00015840-02

105. Ncgc00015840-03

106. Ncgc00015840-04

107. Ncgc00015840-05

108. Ncgc00015840-06

109. Ncgc00015840-07

110. Ncgc00015840-08

111. Ncgc00015840-09

112. Ncgc00015840-18

113. Ncgc00094304-01

114. Ncgc00094304-02

115. Ncgc00094304-03

116. Ncgc00094304-04

117. Ncgc00260400-01

118. Ncgc00261697-01

119. As-14100

120. St057164

121. Sy017103

122. Db-053714

123. Eu-0101012

124. Ns00006825

125. P1966

126. Sw219308-1

127. C00774

128. P 7912

129. F002612

130. 2',6'-trihydroxy-3-(p-hydroxyphenyl)propiophenone

131. Q2268463

132. Sr-01000076081-1

133. Sr-01000076081-7

134. Sr-01000076081-8

135. .beta.-(p-hydroxyphenyl)-2,6-trihydroxypropiophenone

136. Brd-k15563106-001-02-4

137. Brd-k15563106-001-10-7

138. Brd-k15563106-001-18-0

139. Propiophenone,4',6'-trihydroxy-3-(p-hydroxyphenyl)-

140. .beta.-(p-hydroxyphenyl)-2,4,6-trihydroxypropiophenone

141. 1-(2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone

142. 3-(4-hydroxy-phenyl)-1-(2,4,6-trihydroxy-phenyl)-propan-1-one

143. 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-propan-1-one [fhfi]

144. 4,2',4',6'-tetrahydroxydihydrochalcone;2,4,6-trihydroxy-3-(4-hydroxyphenyl)propiophenone;3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphen Yl)-1-propanone;?-(4-hydroxyphenyl)-2,4,6-trihydroxypropiophenone

145. Inchi=1/c15h14o5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20h,3,6h

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₄O₅
Molecular Weight	274.27 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	98
Heavy Atom Count	20
Formal Charge	0
Complexity	312
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 Metabolism/Metabolites

Phloretin has known human metabolites that include Phloretin, 2p-hydroxy-glucuronide and Phloretin, 4p-hydroxy-glucuronide.

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

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