Tomenin

PubChem CID: 5321970

Connections displayed (default: 10).

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Compound Synonyms	Tomenin, 28446-08-4, CHEBI:191610, DTXSID601181798, 6,7-dimethoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one, XT163804, 5-(I(2)-D-Glucopyranosyloxy)-6,7-dimethoxy-2H-1-benzopyran-2-one
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	144.0
Hydrogen Bond Donor Count	4.0
Pfizer 3 75 Rule	True
Scaffold Graph Level	CC1CCC2C(CCCC2CC2CCCCC2)C1
Np Classifier Class	Simple coumarins
Deep Smiles	OC[C@H]O[C@@H]OccOC))cOC))ccc6ccc=O)o6)))))))))))[C@@H][C@H][C@@H]6O))O))O
Heavy Atom Count	27.0
Classyfire Class	Coumarins and derivatives
Scaffold Graph Node Level	OC1CCC2C(CCCC2OC2CCCCO2)O1
Classyfire Subclass	Coumarin glycosides
Isotope Atom Count	0.0
Molecular Complexity	554.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	5.0
Iupac Name	6,7-dimethoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Prediction Hob	1.0
Veber Rule	False
Classyfire Superclass	Phenylpropanoids and polyketides
Xlogp	-0.3
Gsk 4 400 Rule	True
Molecular Formula	C17H20O10
Scaffold Graph Node Bond Level	O=c1ccc2c(OC3CCCCO3)cccc2o1
Prediction Swissadme	0.0
Inchi Key	DHNNEMKGTXETQO-HFVZKWEFSA-N
Silicos It Class	Soluble
Fcsp3	0.4705882352941176
Logs	-1.827
Rotatable Bond Count	5.0
Logd	-0.375
Synonyms	tomenin
Esol Class	Very soluble
Functional Groups	CO, c=O, cOC, cO[C@@H](C)OC, coc
Compound Name	Tomenin
Prediction Hob Swissadme	0.0
Exact Mass	384.106
Formal Charge	0.0
Monoisotopic Mass	384.106
Hydrogen Bond Acceptor Count	10.0
Molecular Weight	384.3
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	5.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-0.9069634740740744
Inchi	InChI=1S/C17H20O10/c1-23-9-5-8-7(3-4-11(19)25-8)15(16(9)24-2)27-17-14(22)13(21)12(20)10(6-18)26-17/h3-5,10,12-14,17-18,20-22H,6H2,1-2H3/t10-,12-,13+,14-,17+/m1/s1
Smiles	COC1=C(C(=C2C=CC(=O)OC2=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC
Nring	3.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	False
Np Classifier Superclass	Coumarins

1. Outgoing r'ship FOUND_IN to/from Acacia Tomentosa (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Achyrocline Tomentosa (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aglaia Tomentosa (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Ampelocissus Tomentosa (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Anemone Tomentosa (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Bauhinia Tomentosa (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Berlinia Tomentosa (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Bridelia Tomentosa (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Callicarpa Tomentosa (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Casearia Tomentosa (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Catunaregam Tomentosa (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Citrus Grandis (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Cyathula Tomentosa (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Dicoma Tomentosa (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Dioscorea Tomentosa (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Edgeworthia Tomentosa (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Eria Tomentosa (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Ficus Tomentosa (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Goupia Tomentosa (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Hubertia Tomentosa (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Hyptis Tomentosa (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Lespedeza Tomentosa (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Lycopersicon Lycopersicum (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Lycopersicum Esculentum (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Melochia Tomentosa (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Morinda Tomentosa (Plant) Rel Props:Reference:
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28. Outgoing r'ship FOUND_IN to/from Paulownia Tomentosa (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Pluchea Tomentosa (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Populus Tomentosa (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Premna Tomentosa (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Prunus Africana (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Prunus Armeniaca (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Prunus Avium (Plant) Rel Props:Reference:
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37. Outgoing r'ship FOUND_IN to/from Prunus Ceylanica (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Prunus Cornuta (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Prunus Davidiana (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Prunus Domestica (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Prunus Dulcis (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Prunus Humilis (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Prunus Jacquemontii (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Prunus Japonica (Plant) Rel Props:Reference:
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47. Outgoing r'ship FOUND_IN to/from Prunus Mahaleb (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Prunus Mandshurica (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Prunus Mume (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Prunus Persica (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Prunus Prostrata (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Prunus Pseudocerasus (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Prunus Puddum (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Prunus Salicina (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Prunus Serotina (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Prunus Serrulata (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Prunus Sibirica (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Prunus Speciosa (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Prunus Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
60. Outgoing r'ship FOUND_IN to/from Prunus Venosa (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Prunus Verecunda (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Prunus Virginiana (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Prunus Yedoensis (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Prunus Zippeliana (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Rhodomyrtus Tomentosa (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Salvia Tomentosa (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Solanum Acaule (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Solanum Aculeatissimum (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Solanum Aculeatum (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Solanum Aethiopicum (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Solanum Americanum (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Solanum Andigena (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Solanum Anguivi (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Solanum Arundo (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Solanum Asperolanatum (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Solanum Aviculare (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Solanum Bahamense (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Solanum Berthaultii (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Solanum Boerhaavii (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Solanum Capsicastrum (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Solanum Capsicoides (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Solanum Chacoense (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Solanum Chilense (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Solanum Ciliatum (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Solanum Coccineum (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Solanum Crinitum (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Solanum Demissum (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Solanum Diflorum (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Solanum Dubium (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Solanum Dulcamara (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Solanum Elaeagnifolium (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Solanum Erianthum (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Solanum Euacanthum (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Solanum Ferox (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Solanum Forskalii (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Solanum Giganteum (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Solanum Incanum (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Solanum Indicum (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Solanum Jacquini (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Solanum Jamaicense (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Solanum Jasminoides (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Solanum Khasianum (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Solanum Kurzii (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Solanum Laciniatum (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Solanum Lanceolatum (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Solanum Lasiocarpum (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Solanum Laxum (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Solanum Lycoicum (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Solanum Lycopersicum (Plant) Rel Props:Source_db:npass_chem_all
110. Outgoing r'ship FOUND_IN to/from Solanum Mauritianum (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Solanum Melongena (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Solanum Myriacanthum (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Solanum Nigrum (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Solanum Olgae (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Solanum Platanifolium (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Solanum Pseudocapsicum (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Solanum Pseudopersicum (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Solanum Pseudoquina (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Solanum Pubescens (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Solanum Racemigerum (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Solanum Sarmentosum (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Solanum Sarrachoides (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Solanum Seaforthianum (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Solanum Sisymbriifolium (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Solanum Sodomeum (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Solanum Spirale (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Solanum Stramoniifolium (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Solanum Sublobatum (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Solanum Surattense (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Solanum Torvum (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Solanum Toxicarium (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Solanum Toxicarum (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Solanum Transcaucasicum (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Solanum Trilobatum (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Solanum Tripartitum (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Solanum Tuberosum (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Solanum Verbascifolium (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Solanum Viarum (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Solanum Villosum (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Solanum Violaceum (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Solanum Virginianum (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Solanum Wrightii (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Solanum Xanthocarpum (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Sophora Tomentosa (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Sorbaria Tomentosa (Plant) Rel Props:Reference:
146. Outgoing r'ship FOUND_IN to/from Strychnos Tomentosa (Plant) Rel Props:Reference:
147. Outgoing r'ship FOUND_IN to/from Terminalia Tomentosa (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Tinospora Tomentosa (Plant) Rel Props:Reference:
149. Outgoing r'ship FOUND_IN to/from Trema Tomentosa (Plant) Rel Props:Reference:
150. Outgoing r'ship FOUND_IN to/from Uncaria Tomentosa (Plant) Rel Props:Reference:
151. Outgoing r'ship FOUND_IN to/from Vitis Tomentosa (Plant) Rel Props:Reference:
152. Outgoing r'ship FOUND_IN to/from Wrightia Tomentosa (Plant) Rel Props:Reference:
153. Outgoing r'ship FOUND_IN to/from Xantolis Tomentosa (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 153

Plant Connections 153