(1R,3R,4S,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid

PubChem CID: 11870310

Connections displayed (default: 10).

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Compound Synonyms	CHEMBL1552319, NCGC00017241-02, NCGC00142471-01
Topological Polar Surface Area	165.0
Hydrogen Bond Donor Count	6.0
Heavy Atom Count	25.0
Isotope Atom Count	0.0
Molecular Complexity	534.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Uniprot Id	Q99714, B2RXH2, P00352, Q9F4F7, P27695
Iupac Name	(1R,3R,4S,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
Prediction Hob	0.0
Target Id	NPT149, NPT48, NPT94
Xlogp	-0.4
Molecular Formula	C16H18O9
Prediction Swissadme	0.0
Inchi Key	CWVRJTMFETXNAD-XGVQRKRESA-N
Fcsp3	0.375
Logs	-1.363
Rotatable Bond Count	5.0
Logd	-0.055
Compound Name	(1R,3R,4S,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
Prediction Hob Swissadme	0.0
Exact Mass	354.095
Formal Charge	0.0
Monoisotopic Mass	354.095
Hydrogen Bond Acceptor Count	9.0
Molecular Weight	354.31
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	1.0
Esol	-1.6197282000000004
Inchi	InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12+,14-,16+/m0/s1
Smiles	C1[C@@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O
Nring	2.0
Defined Bond Stereocenter Count	1.0

1. Outgoing r'ship FOUND_IN to/from Achyranthes Japonica (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Agrimonia Japonica (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Agrimonia Pilosa (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Alnus Japonica (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Alpinia Japonica (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Ampelopsis Japonica (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Angelica Japonica (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Ardisia Japonica (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Artemisia Japonica (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Atractylodes Japonica (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Aucuba Japonica (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Balanophora Japonica (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Bazzania Japonica (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Berberis Japonica (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Betula Platyphylla (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Boenninghausenia Albiflora (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Caesalpinia Japonica (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Callicarpa Japonica (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Camellia Japonica (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Campsis Flos (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Cayratia Japonica (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Chionographis Japonica (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Cimicifuga Japonica (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Citrus Japonica (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Cleyera Japonica (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Conyza Japonica (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Coptis Japonica (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Coriaria Japonica (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Croomia Japonica (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Cryptomeria Japonica (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Cryptotaenia Japonica (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Dioscorea Japonica (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Diospyros Japonica (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Eria Japonica (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Eriobotrya Japonica (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Euchresta Japonica (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Eurya Japonica (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Euscaphis Japonica (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Forsythia Japonica (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Fraxinus Japonica (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Gentiana Japonica (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Gleditsia Japonica (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Gynura Japonica (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Hemionitis Japonica (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Hylomecon Japonica (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Inula Japonica (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Iris Japonica (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Isodon Japonica (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Justicia Japonica (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Kadsura Japonica (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Kerria Japonica (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Korthalsella Japonica (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Lonicera Angustifolia (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Lonicera Bournei (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Lonicera Caerulea (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Lonicera Confusa (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Lonicera Confuse (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Lonicera Dasystyla (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Lonicera Fulvotomentosa (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Lonicera Hypoglauca (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Lonicera Hypoleuca (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Lonicera Implexa (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
64. Outgoing r'ship FOUND_IN to/from Lonicera Korolkowii (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Lonicera Leschenaultii (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Lonicera Macrantha (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Lonicera Macranthoides (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Lonicera Morrowii (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Lonicera Periclymenum (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Lonicera Quinquelocularis (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Lonicera Similis (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Lonicera Spinosa (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Lonicera Tatarica (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Machilus Japonica (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Maesa Japonica (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Mentha Japonica (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Metaplexis Japonica (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Micromeria Japonica (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Microtropis Japonica (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Mosla Japonica (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Murdannia Japonica (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Ophiorrhiza Japonica (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Orixa Japonica (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Osmunda Japonica (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Pieris Japonica (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Plagiochila Acanthophylla (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Prunus Japonica (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Pseudotsuga Japonica (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Pteris Japonica (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Pyrola Japonica (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Ranzania Japonica (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Rhamnus Japonica (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Rohdea Japonica (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Sabia Japonica (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Sagina Japonica (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Salix Japonica (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Saussurea Japonica (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Scopolia Japonica (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Skimmia Japonica (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Sophora Japonica (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Spergula Japonica (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Spiraea Japonica (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Stemona Japonica (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Stephania Japonica (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Swertia Japonica (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Ternstroemia Japonica (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Tilia Japonica (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Torilis Japonica (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Trapa Japonica (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Uvaria Acuminata (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Uvaria Angolensis (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Uvaria Boniana (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Uvaria Calamistrata (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Uvaria Chamae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
115. Outgoing r'ship FOUND_IN to/from Uvaria Cherrevensis (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Uvaria Dulcis (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Uvaria Ferruginea (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Uvaria Grandiflora (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Uvaria Griffithii (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Uvaria Hookeri (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Uvaria Kirkii (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Uvaria Klaineana (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Uvaria Lucida (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Uvaria Macrophylla (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Uvaria Microcarpa (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Uvaria Mocoli (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Uvaria Narum (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Uvaria Rufa (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Uvaria Scheffleri (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Youngia Japonica (Plant) Rel Props:Reference:

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(1R,3R,4S,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid

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Phytochemical Properties

Associated Connections 130

Plant Connections 130