(1R,2S,3R,4R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol

PubChem CID: 45109805

Connections displayed (default: 10).

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Compound Synonyms	Calystegine B4, NS00094407, BFEEB4AA-1D99-4BB3-A39D-96E6E89E7014
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	93.0
Hydrogen Bond Donor Count	5.0
Pfizer 3 75 Rule	True
Scaffold Graph Level	C1CC2CCC(C1)C2
Np Classifier Class	Tropane alkaloids
Deep Smiles	O[C@@H]CCC[C@]N5)[C@H][C@@H]7O))O))O
Heavy Atom Count	12.0
Classyfire Class	Tropane alkaloids
Scaffold Graph Node Level	C1CC2CCC(C1)N2
Isotope Atom Count	0.0
Molecular Complexity	200.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Iupac Name	(1R,2S,3R,4R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Alkaloids and derivatives
Xlogp	-2.4
Gsk 4 400 Rule	True
Molecular Formula	C7H13NO4
Scaffold Graph Node Bond Level	C1CC2CCC(C1)N2
Prediction Swissadme	0.0
Inchi Key	FXFBVZOJVHCEDO-XHQAPYKUSA-N
Silicos It Class	Soluble
Fcsp3	1.0
Logs	-0.514
Rotatable Bond Count	0.0
Logd	-1.145
Synonyms	calystegine b4
Esol Class	Highly soluble
Functional Groups	CN[C@@](C)(C)O, CO
Compound Name	(1R,2S,3R,4R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol
Prediction Hob Swissadme	0.0
Exact Mass	175.084
Formal Charge	0.0
Monoisotopic Mass	175.084
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	175.18
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	0.6047592000000002
Inchi	InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3?,4-,5-,6+,7-/m1/s1
Smiles	C1C[C@]2([C@H]([C@@H]([C@@H](C1N2)O)O)O)O
Nring	2.0
Np Classifier Biosynthetic Pathway	Alkaloids
Defined Bond Stereocenter Count	0.0
Egan Rule	False
Np Classifier Superclass	Ornithine alkaloids

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 Ajuga Parviflora (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Alnus Japonica (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Alpinia Japonica (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Amaryllis Belladonna (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Ampelopsis Japonica (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Angelica Japonica (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Aniba Parviflora (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Ardisia Japonica (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Artemisia Japonica (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Artemisia Parviflora (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Asimina Parviflora (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Atractylodes Japonica (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Atropa Acuminata (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Atropa Belladona (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Atropa Belladonna (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
19. Outgoing r'ship FOUND_IN to/from Aucuba Japonica (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Balanophora Japonica (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Bazzania Japonica (Plant) Rel Props:Reference:
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23. Outgoing r'ship FOUND_IN to/from Betula Platyphylla (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Bidens Parviflora (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Boenninghausenia Albiflora (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Bruguiera Parviflora (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Caesalpinia Japonica (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Callicarpa Japonica (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Camellia Japonica (Plant) Rel Props:Reference:
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31. Outgoing r'ship FOUND_IN to/from Chionographis Japonica (Plant) Rel Props:Reference:
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37. Outgoing r'ship FOUND_IN to/from Coriaria Japonica (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Croomia Japonica (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Cryptomeria Japonica (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Cryptotaenia Japonica (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Dalbergia Parviflora (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Dioscorea Japonica (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Dioscorea Parviflora (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Diospyros Japonica (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Embelia Parviflora (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Eria Japonica (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Eriobotrya Japonica (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Euchresta Japonica (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Eurya Japonica (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Euscaphis Japonica (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Forsythia Japonica (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Fraxinus Japonica (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Fumaria Parviflora (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Galinsoga Parviflora (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Geijera Parviflora (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Gentiana Japonica (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Ginsoga Parviflora (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Gleditsia Japonica (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Glycosmis Parviflora (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Gomophostemma Parviflora (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Gomphostemma Parviflora (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Gynura Japonica (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Hemionitis Japonica (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Hopea Parviflora (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Hylomecon Japonica (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Inula Japonica (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Iris Japonica (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Isodon Japonica (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Justicia Japonica (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Kadsura Japonica (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Kerria Japonica (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Korthalsella Japonica (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Lagerstroemia Parviflora (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Lonicera Japonica (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Machilus Japonica (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Maesa Japonica (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Malva Parviflora (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Mentha Japonica (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Metaplexis Japonica (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Micromeria Japonica (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Microtropis Japonica (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Mosla Japonica (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Murdannia Japonica (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Mussaenda Parviflora (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Ophiorrhiza Japonica (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Orixa Japonica (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Osmunda Japonica (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Pieris Japonica (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Plagiochila Acanthophylla (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Prunus Japonica (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Pseudotsuga Japonica (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Pteris Japonica (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Pyrola Japonica (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Ranzania Japonica (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Rhamnus Japonica (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Rhus Parviflora (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Rohdea Japonica (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Sabia Japonica (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Sagina Japonica (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Salix Japonica (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Saussurea Japonica (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Scopolia Atropoides (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Scopolia Carniolica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
104. Outgoing r'ship FOUND_IN to/from Scopolia Hladnikiana (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Scopolia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
106. Outgoing r'ship FOUND_IN to/from Scopolia Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
107. Outgoing r'ship FOUND_IN to/from Scopolia Sinensis (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Scopolia Tangutica (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Skimmia Japonica (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Sophora Japonica (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Spergula Japonica (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Spiraea Japonica (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Stemona Japonica (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Stemona Parviflora (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Stephania Japonica (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Sterculia Parviflora (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Swertia Japonica (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Ternstroemia Japonica (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Tilia Japonica (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Torilis Japonica (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Trapa Japonica (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Urtica Parviflora (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Vinca Parviflora (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Xylopia Parviflora (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Youngia Japonica (Plant) Rel Props:Reference:

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(1R,2S,3R,4R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol

Graph

Phytochemical Properties

Associated Connections 125

Plant Connections 125