Paulownin

PubChem CID: 3084131

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Compound Synonyms	Paulownin, 13040-46-5, (3R,3aS,6S,6aR)-3,6-bis(1,3-benzodioxol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol, DTXSID10156507, 1H,3H-Furo(3,4-c)furan-3a(4H)-ol, 1,4-bis(1,3-benzodioxol-5-yl)dihydro-, (1alpha,3aalpha,4alpha,6aalpha)-, Paulownin?, (3R,3aS,6S,6aR)-3,6-bis(1,3-benzodioxol-5-yl)-3,4,6,6a-tetrahydro-1H-furo(3,4-c)furan-3a-ol, MFCD20261059, SCHEMBL662427, CHEMBL479911, MEGxp0_001306, DTXCID6078998, ACon1_001000, HY-N2324, s9013, AKOS032948783, Paulownin, >=95% (LC/MS-ELSD), CCG-268295, NCGC00169771-01, AC-33983, DA-76619, MS-25951, CS-0020772, AC-776/41252614, BRD-K49625292-001-01-7, 1,4-di(1,3-benzodioxol-5-yl)dihydro-1H,3H-furo[3,4-c]furan-3a(4H)-ol, (1S,3AS,4R,6AR)-1,4-BIS(2H-1,3-BENZODIOXOL-5-YL)-TETRAHYDRO-1H-FURO[3,4-C]FURAN-3A-OL
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	True
Scaffold Graph Level	C1CC2CCC(C3CCC4C(C5CCC6CCCC6C5)CCC34)CC2C1
Np Classifier Class	Furofuranoid lignans
Deep Smiles	O[C@]CO[C@@H][C@H]5CO[C@@H]8cccccc6)OCO5))))))))))))cccccc6)OCO5
Heavy Atom Count	27.0
Classyfire Class	Furanoid lignans
Scaffold Graph Node Level	C1OC2CCC(C3OCC4C3COC4C3CCC4OCOC4C3)CC2O1
Isotope Atom Count	0.0
Molecular Complexity	573.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Iupac Name	(3R,3aS,6S,6aR)-3,6-bis(1,3-benzodioxol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Lignans, neolignans and related compounds
Xlogp	1.6
Gsk 4 400 Rule	True
Molecular Formula	C20H18O7
Scaffold Graph Node Bond Level	c1cc2c(cc1C1OCC3C(c4ccc5c(c4)OCO5)OCC13)OCO2
Prediction Swissadme	1.0
Inchi Key	CAQZFLPWHBKTTR-WNISUXOKSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.4
Logs	-5.262
Rotatable Bond Count	2.0
Logd	2.863
Synonyms	paulownin
Esol Class	Soluble
Functional Groups	CO, COC, c1cOCO1
Compound Name	Paulownin
Prediction Hob Swissadme	1.0
Exact Mass	370.105
Formal Charge	0.0
Monoisotopic Mass	370.105
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	370.4
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-3.35370228888889
Inchi	InChI=1S/C20H18O7/c21-20-8-23-18(11-1-3-14-16(5-11)26-9-24-14)13(20)7-22-19(20)12-2-4-15-17(6-12)27-10-25-15/h1-6,13,18-19,21H,7-10H2/t13-,18-,19-,20-/m1/s1
Smiles	C1[C@@H]2[C@H](OC[C@@]2([C@H](O1)C3=CC4=C(C=C3)OCO4)O)C5=CC6=C(C=C5)OCO6
Nring	6.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Lignans

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2. Outgoing r'ship FOUND_IN to/from Acacia Nilotica (Plant) Rel Props:Reference:ISBN:9788185042114
3. Outgoing r'ship FOUND_IN to/from Achillea Alpina (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Achillea Arabica (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Achillea Biebersteinii (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Achillea Clypeolata (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Achillea Collina (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Achillea Cretica (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Achillea Fragrantissima (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Achillea Holosericea (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Achillea Leptophylla (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Achillea Lycaonica (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Achillea Macrophylla (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Achillea Magnifica (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Achillea Micrantha (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Achillea Millefolium (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Achillea Moschata (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Achillea Nana (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Achillea Pratensis (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Achillea Pseudopectinata (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Achillea Santolina (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Achillea Serbica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
23. Outgoing r'ship FOUND_IN to/from Achillea Sibirica (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Achillea Tuzsonii (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Achillea Wilhelmsii (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Achillea Wilsoniana (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Alluaudia Ascendens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
28. Outgoing r'ship FOUND_IN to/from Alluaudia Humbertii (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Alpinia Nigra (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Atriplex Hortensis (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Brassica Nigra (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Camphora Officinarum (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Centaurea Aemulans (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Centaurea Amara (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Centaurea Arbutifolia (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Centaurea Arenaria (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Centaurea Aspera (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Centaurea Behen (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Centaurea Benedicta (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Centaurea Bruguierana (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Centaurea Cadmea (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Centaurea Calcitrapa (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Centaurea Cana (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Centaurea Cheiranthifolia (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Centaurea Collina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
46. Outgoing r'ship FOUND_IN to/from Centaurea Corcubionensis (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Centaurea Cyanus (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Centaurea Dealbata (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Centaurea Glastifolia (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Centaurea Hermannii (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Centaurea Hololeuca (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Centaurea Horrida (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Centaurea Iberica (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Centaurea Linifolia (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Centaurea Maculosa (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Centaurea Melitensis (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Centaurea Musimomum (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Centaurea Nigrescens (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Centaurea Scoparia (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Centaurea Seridis (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Centaurea Sinaica (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Centaurea Solstitialis (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Centaurea Sonchifolia (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Centaurea Spinosa (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Centaurea Squarrosa (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Centaurea Zuccariniana (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Cinnamomum Aromaticum (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Cinnamomum Bejolghota (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Cinnamomum Camphora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
70. Outgoing r'ship FOUND_IN to/from Cinnamomum Cassia (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Cinnamomum Cecidodaphne (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Cinnamomum Glanduliferum (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Cinnamomum Glaucescens (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Cinnamomum Impressinervium (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Cinnamomum Japonicum (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Cinnamomum Kotoense (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Cinnamomum Macrocarpum (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Cinnamomum Malabathrum (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Cinnamomum Obtusifolium (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Cinnamomum Parthenoxylum (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Cinnamomum Pauciflorum (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Cinnamomum Pedunculatum (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Cinnamomum Philippinense (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Cinnamomum Porrectum (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Cinnamomum Subavenium (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Cinnamomum Sulphuratum (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Cinnamomum Tamala (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Cinnamomum Tenuifolium (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Cinnamomum Travancoricum (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Cinnamomum Verum (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Cinnamomum Wightii (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Cinnamomum Zeylanicum (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Cleistanthus Collinus (Plant) Rel Props:Reference:ISBN:9788185042114
94. Outgoing r'ship FOUND_IN to/from Dalbergia Nigra (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Dianella Nigra (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Dryobalanops Camphora (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Echinocereus Blanckii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
98. Outgoing r'ship FOUND_IN to/from Euonymus Alatus (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Euonymus Atropurpurea (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Euonymus Atropurpureus (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Euonymus Carnosus (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Euonymus Crenulatus (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Euonymus Echinatus (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Euonymus Europaeus (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Euonymus Fortunei (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Euonymus Grandiflorus (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Euonymus Hamiltonianus (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Euonymus Indicus (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Euonymus Japonicus (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Euonymus Laxiflorus (Plant) Rel Props:Reference:
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112. Outgoing r'ship FOUND_IN to/from Euonymus Maackii (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Euonymus Mupinensis (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Euonymus Nanoides (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Euonymus Nanus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
116. Outgoing r'ship FOUND_IN to/from Euonymus Pendulus (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Euonymus Sachalinensis (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Euonymus Seeratifolius (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Euonymus Tingens (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Flindersia Collina (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Gmelina Arborea (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788171360536
122. Outgoing r'ship FOUND_IN to/from Holigarna Nigra (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Isodon Weisiensis (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Juglans Nigra (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Markhamia Lutea (Plant) Rel Props:Reference:ISBN:9770972795006
126. Outgoing r'ship FOUND_IN to/from Metrodorea Nigra (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Millingtonia Hortensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
128. Outgoing r'ship FOUND_IN to/from Morus Nigra (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Parthenium Hysterophorus (Plant) Rel Props:Reference:ISBN:9788185042145
130. Outgoing r'ship FOUND_IN to/from Paulownia Tomentosa (Plant) Rel Props:Reference:ISBN:9788172362461; ISBN:9788185042053
131. Outgoing r'ship FOUND_IN to/from Physostigma Venenosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
132. Outgoing r'ship FOUND_IN to/from Piptanthus Nanus (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Populus Nigra (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Rabdosia Adenantha (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Rabdosia Angustifolia (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Rabdosia Coetsoides (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Rabdosia Eriocalyx (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Rabdosia Excisa (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Rabdosia Flexicaulis (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Rabdosia Inflexa (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Rabdosia Longituba (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Rabdosia Loxothyrsa (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Rabdosia Macrophylla (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Rabdosia Nervosa (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Rabdosia Rugosa (Plant) Rel Props:Reference:
146. Outgoing r'ship FOUND_IN to/from Rabdosia Weisiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
147. Outgoing r'ship FOUND_IN to/from Rabdosia Yuennanensis (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Salix Nigra (Plant) Rel Props:Reference:
149. Outgoing r'ship FOUND_IN to/from Salsola Collina (Plant) Rel Props:Reference:
150. Outgoing r'ship FOUND_IN to/from Sambucus Nigra (Plant) Rel Props:Reference:
151. Outgoing r'ship FOUND_IN to/from Satureja Hortensis (Plant) Rel Props:Reference:
152. Outgoing r'ship FOUND_IN to/from Schisandra Nigra (Plant) Rel Props:Reference:
153. Outgoing r'ship FOUND_IN to/from Sinapis Alba (Plant) Rel Props:Reference:
154. Outgoing r'ship FOUND_IN to/from Sinapis Arvensis (Plant) Rel Props:Reference:
155. Outgoing r'ship FOUND_IN to/from Sinapis Juncea (Plant) Rel Props:Reference:
156. Outgoing r'ship FOUND_IN to/from Sinapis Nigra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
157. Outgoing r'ship FOUND_IN to/from Sinapis Semen (Plant) Rel Props:Reference:
158. Outgoing r'ship FOUND_IN to/from Ulex Nanus (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 158

Plant Connections 158