MolPort-001-742-013

Synopsis, Chemistry

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1 NDC API

1 NDC API

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Also known as: 480-40-0, 5,7-dihydroxyflavone, 5,7-dihydroxy-2-phenyl-4h-chromen-4-one, Chrysine, 5,7-dihydroxy-2-phenylchromen-4-one, Crysin

Molecular Formula

C₁₅H₁₀O₄

Molecular Weight

254.24 g/mol

InChI Key

RTIXKCRFFJGDFG-UHFFFAOYSA-N

FDA UNII

3CN01F5ZJ5

chrysin is a natural product found in Scutellaria amoena, Lonicera japonica, and other organisms with data available.

1 2D Structure

MolPort-001-742-013

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5,7-dihydroxy-2-phenylchromen-4-one

2.1.2 InChI

InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H

2.1.3 InChI Key

RTIXKCRFFJGDFG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O

2.2 Other Identifiers

2.2.1 UNII

3CN01F5ZJ5

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 5,7-dihydroxy-flavone

2. 5,7-dihydroxyflavone

3. Chrysine

2.3.2 Depositor-Supplied Synonyms

1. 480-40-0

2. 5,7-dihydroxyflavone

3. 5,7-dihydroxy-2-phenyl-4h-chromen-4-one

4. Chrysine

5. 5,7-dihydroxy-2-phenylchromen-4-one

6. Crysin

7. 4h-1-benzopyran-4-one, 5,7-dihydroxy-2-phenyl-

8. Nsc-407436

9. Chrysinic Acid

10. Flavone, 5,7-dihydroxy-

11. Nsc 407436

12. 5,7-dihydroxy-2-phenyl-4h-1-benzopyran-4-one

13. 5,7-dihydroxy-2-phenyl-chromen-4-one

14. Mfcd00006834

15. Nsc407436

16. Chembl117

17. 3cn01f5zj5

18. Chebi:75095

19. 5,7-dihydroxy-2-phenyl-4h-benzo(b)pyran-4-one

20. 5,7-dihydroxy-2-phenyl-4h-benzo[b]pyran-4-one

21. Cas-480-40-0

22. Smr000112318

23. Sr-01000765660

24. Einecs 207-549-7

25. Brn 0233276

26. Unii-3cn01f5zj5

27. 3ebo

28. 4des

29. 57d

30. Chrysin,(s)

31. 5,7-dioh-flavone

32. Flavone,7-dihydroxy-

33. Chrysin, 97%

34. Ois 3

35. Spectrum_000245

36. 5, 7-dihydroxyflavone

37. Chrysin [inci]

38. Chrysin [mi]

39. Prestwick0_000889

40. Prestwick1_000889

41. Prestwick2_000889

42. Prestwick3_000889

43. Spectrum2_000753

44. Spectrum3_001399

45. Spectrum4_000780

46. Spectrum5_001503

47. Dsstox_cid_2396

48. Chrysin, Analytical Standard

49. Dsstox_rid_76571

50. Dsstox_gsid_22396

51. Oprea1_045160

52. Schembl44474

53. Bspbio_000678

54. Bspbio_002514

55. Bspbio_003018

56. Kbiogr_001200

57. Kbioss_000725

58. 5-18-04-00076 (beilstein Handbook Reference)

59. Mls000697728

60. Mls001074879

61. Mls006011841

62. Bidd:er0484

63. Divk1c_000614

64. Spectrum1500709

65. Spectrum1505144

66. Spbio_000766

67. Spbio_002897

68. Bdbm7461

69. Bpbio1_000746

70. Gtpl8789

71. Megxp0_001416

72. Dtxsid1022396

73. Acon1_000087

74. Cid_5281607

75. Hms501o16

76. Kbio1_000614

77. Kbio2_000725

78. Kbio2_003293

79. Kbio2_005861

80. Kbio3_002238

81. Ninds_000614

82. Hms1570b20

83. Hms1921e20

84. Hms2097b20

85. Hms2268i23

86. Hms3468n08

87. Hms3655l20

88. Albb-015581

89. Bcp22863

90. Zinc3872070

91. Tox21_302335

92. Bbl010449

93. Ccg-40148

94. Lmpk12110189

95. Nsc818102

96. S2281

97. Stk801609

98. Akos000275936

99. Bcp9000172

100. Cs-7531

101. Db15581

102. Gs-0927

103. Nsc-818102

104. Sdccgmls-0066586.p001

105. Idi1_000614

106. Smp1_000070

107. Ncgc00016456-01

108. Ncgc00016456-02

109. Ncgc00016456-03

110. Ncgc00016456-04

111. Ncgc00016456-05

112. Ncgc00016456-06

113. Ncgc00016456-07

114. Ncgc00016456-08

115. Ncgc00016456-09

116. Ncgc00016456-10

117. Ncgc00016456-12

118. Ncgc00094842-01

119. Ncgc00094842-02

120. Ncgc00094842-03

121. Ncgc00094842-04

122. Ncgc00094842-05

123. Ncgc00168807-01

124. Ncgc00168807-02

125. Ncgc00168807-03

126. Ncgc00168807-04

127. Ncgc00255307-01

128. Ac-10052

129. Hy-14589

130. Nci60_003886

131. Sy050125

132. Ab00513947

133. C1652

134. Ft-0619846

135. Ft-0686390

136. N1336

137. Sw197197-2

138. 5,7-dihydroxy-2-phenyl-4h-chromen-4-one #

139. 4h-1-benzopyran-4-one,7-dihydroxy-2-phenyl-

140. 80c400

141. C-5980

142. S00112

143. Chrysin 1000 Microg/ml In Acetonitrile:methanol

144. A827426

145. Q973741

146. Sr-01000765660-3

147. Sr-01000765660-4

148. 34b3b4ad-eedd-4943-a1c6-8857d2faa8e0

149. 5,7-dihydroxy-2-phenyl-4h-1-benzopyran-4-one, 9ci

150. Brd-k22861715-001-07-5

151. Brd-k22861715-001-12-5

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₀O₄
Molecular Weight	254.24 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	254.05790880 g/mol
Monoisotopic Mass	254.05790880 g/mol
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	384
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