Betavulgarin

PubChem CID: 442668

Connections displayed (default: 10).

Loading graph...

ℹ️ Click here to know more about the properties

Compound Synonyms	Betavulgarin, 51068-94-1, UNII-6ZPC914C84, 6ZPC914C84, 2'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone, 7-(2-hydroxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one, 8H-1,3-Dioxolo(4,5-g)(1)benzopyran-8-one, 7-(2-hydroxyphenyl)-9-methoxy-, CHEBI:3081, DTXSID30331899, 7-(2-hydroxyphenyl)-9-methoxy-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-8-one, 7-(2-hydroxyphenyl)-9-methoxy-(1,3)dioxolo(4,5-g)chromen-8-one, 7-(2-hydroxyphenyl)-9-methoxy-2H,8H-(1,3)dioxolo(4,5-g)(1)benzopyran-8-one, DTXCID30282993, LMPK12050361, 2'-hydroxy-6,7-methylenedioxy-5-methoxyisoflavone, Q27105938, 7-(2-Hydroxyphenyl)-9-methoxy-8H-(1,3)dioxolo(4,5-g)chromen-8-one
Topological Polar Surface Area	74.2
Hydrogen Bond Donor Count	1.0
Heavy Atom Count	23.0
Description	Betavulgarin, also known as 2'-hydroxy-5-methoxy-6,7-methylenedioxyisoflavone, is a member of the class of compounds known as isoflavones. Isoflavones are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Thus, betavulgarin is considered to be a flavonoid lipid molecule. Betavulgarin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Betavulgarin can be found in chickpea, common beet, and red beetroot, which makes betavulgarin a potential biomarker for the consumption of these food products.
Isotope Atom Count	0.0
Molecular Complexity	503.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	7-(2-hydroxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one
Prediction Hob	1.0
Class	Isoflavonoids
Xlogp	2.6
Superclass	Phenylpropanoids and polyketides
Subclass	Isoflav-2-enes
Molecular Formula	C17H12O6
Prediction Swissadme	0.0
Inchi Key	NDVRQFZUJRMKKP-UHFFFAOYSA-N
Fcsp3	0.1176470588235294
Logs	-3.727
Rotatable Bond Count	2.0
Logd	2.792
Synonyms	2'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone, Betavulgarin, 7-(2-Hydroxyphenyl)-9-methoxy-8H-(1,3)dioxolo(4,5-g)chromen-8-one
Compound Name	Betavulgarin
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	312.063
Formal Charge	0.0
Monoisotopic Mass	312.063
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	312.27
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aromatic heteropolycyclic compounds
Esol	-3.3055000086956525
Inchi	InChI=1S/C17H12O6/c1-20-17-14-12(6-13-16(17)23-8-22-13)21-7-10(15(14)19)9-4-2-3-5-11(9)18/h2-7,18H,8H2,1H3
Smiles	COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=CC=C4O
Nring	4.0
Defined Bond Stereocenter Count	0.0
Taxonomy Direct Parent	Isoflavones

1. Outgoing r'ship FOUND_IN to/from Aconitum Anthora (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Aconitum Balfourii (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aconitum Bisma (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Aconitum Brachypodum (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Aconitum Brevicalcaratum (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Aconitum Bullatifolium (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Aconitum Bulleyanum (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Aconitum Burnatii (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Aconitum Campylorrhynchum (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Aconitum Carmichaelii (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Aconitum Chasmanthum (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Aconitum Chrysotrichum (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Aconitum Ciliare (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Aconitum Contortum (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Aconitum Coreanum (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Aconitum Elwesii (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Aconitum Episcopale (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Aconitum Excelsum (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Aconitum Falconeri (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Aconitum Fauriei (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Aconitum Ferox (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Aconitum Finetianum (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Aconitum Fischeri (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Aconitum Forrestii (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Aconitum Geniculatum (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Aconitum Gigas (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Aconitum Gymnandrum (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Aconitum Habaense (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Aconitum Hemsleyanum (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Aconitum Heterophylloides (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Aconitum Heterophyllum (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Aconitum Hookeri (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Aconitum Japonicum (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Aconitum Kamtschaticum (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Aconitum Karakolicum (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Aconitum Kirinense (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Aconitum Kongboense (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Aconitum Koreanum (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Aconitum Kusnezoffii (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Aconitum Laeve (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Aconitum Legendrei (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Aconitum Lethale (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Aconitum Leucostomum (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Aconitum Likiangense (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Aconitum Liljestrandii (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Aconitum Lucidusculum (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Aconitum Lycoctonum (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Aconitum Nagarum (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Aconitum Napellus (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Aconitum Naviculare (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Aconitum Nemorum (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Aconitum Nevadense (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Aconitum Novuluridum (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Aconitum Orientale (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Aconitum Palmatum (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Aconitum Pendulum (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Aconitum Polyschistum (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Aconitum Pseudohuiliense (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Aconitum Richardsonianum (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Aconitum Rotundifolium (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Aconitum Sachalinense (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Aconitum Sajanense (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Aconitum Seravschanicum (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Aconitum Soongaricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
65. Outgoing r'ship FOUND_IN to/from Aconitum Subcuneatum (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Aconitum Sungpanense (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Aconitum Talassicum (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Aconitum Tanguticum (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Aconitum Tasiromontanum (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Aconitum Tianschanicum (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Aconitum Triphyllum (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Aconitum Umbrosum (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Aconitum Variegatum (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Aconitum Vilmorini (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Aconitum Vilmorinianum (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Aconitum Violaceum (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Aconitum Volubile (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Aconitum Zuccarini (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Ambrosia Tenuifolia (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Arbutus Menziesii (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Arbutus Unedo (Plant) Rel Props:Source_db:npass_chem_all
82. Outgoing r'ship FOUND_IN to/from Basella Rubra (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Besella Rubra (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Beta Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all
85. Outgoing r'ship FOUND_IN to/from Cheilanthes Tenuifolia (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Cheilosoria Tenuifolia (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Cicer Arietinum (Plant) Rel Props:Source_db:fooddb_chem_all
88. Outgoing r'ship FOUND_IN to/from Euphrasia Rubra (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Iris Bungei (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Iris Cristata (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Iris Decora (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Iris Dichotoma (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Iris Domestica (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Iris Ensata (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Iris Florentina (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Iris Germanica (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Iris Halophila (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Iris Hoogiana (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Iris Hookeriana (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Iris Japonica (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Iris Kashmiriana (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Iris Kemaonensis (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Iris Kemaonesis (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Iris Lactea (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Iris Milesii (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Iris Nepalensis (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Iris Pallasii (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Iris Pallida (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Iris Potaninii (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Iris Pseudacorus (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Iris Sanguinea (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Iris Sibirica (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Iris Spuria (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Iris Tectorum (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Iris Tingitana (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Iris Unguicularis (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Iris Versicolor (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Liatris Tenuifolia (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Luisia Tenuifolia (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Monodora Tenuifolia (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Morella Rubra (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Morus Rubra (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Nectandra Rubra (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Nymphaea Rubra (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Odontites Rubra (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Osyris Tenuifolia (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Picea Abies (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Picea Breweriana (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Picea Engelmannii (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Picea Glauca (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Picea Glehnii (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Picea Jezoensis (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Picea Mariana (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Picea Obovata (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Picea Rubens (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Picea Sitchensis (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Picea Vulgaris (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Pinus Picea (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Plumeria Rubra (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Plumieria Rubra (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Polygala Tenuifolia (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Quercus Rubra (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Rosa Rubra (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Schizonepeta Tenuifolia (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Senegalia Tenuifolia (Plant) Rel Props:Reference:
146. Outgoing r'ship FOUND_IN to/from Sextonia Rubra (Plant) Rel Props:Reference:
147. Outgoing r'ship FOUND_IN to/from Spergularia Rubra (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Tagetes Tenuifolia (Plant) Rel Props:Reference:

Back to Browse Back to Home

GRAYU Website

Grayu

Betavulgarin

Graph

Phytochemical Properties

Associated Connections 148

Plant Connections 148