Safynol

PubChem CID: 6442707

Connections displayed (default: 10).

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Compound Synonyms	Safynol, AC1O5XQ1, C08458, 27978-14-9, (2R,3E,11E)-3,11-Tridecadiene-5,7,9-triyne-1,2-diol, (2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol, LMFA05000697
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	False
Np Classifier Class	Fatty alcohols, Hydrocarbons
Deep Smiles	C/C=C/C#CC#CC#C/C=C/[C@H]CO))O
Heavy Atom Count	15.0
Classyfire Class	Fatty acyls
Classyfire Subclass	Fatty alcohols
Isotope Atom Count	0.0
Molecular Complexity	428.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	1.0
Iupac Name	(2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	1.6
Gsk 4 400 Rule	True
Molecular Formula	C13H12O2
Prediction Swissadme	0.0
Inchi Key	GVCJUCQUVWZELI-DXFRQSKKSA-N
Silicos It Class	Soluble
Fcsp3	0.2307692307692307
Logs	-3.136
Rotatable Bond Count	4.0
Logd	0.948
Synonyms	safynol
Esol Class	Soluble
Functional Groups	C/C=C/C#CC#CC#C/C=C/C, CO
Compound Name	Safynol
Prediction Hob Swissadme	0.0
Exact Mass	200.084
Formal Charge	0.0
Monoisotopic Mass	200.084
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	200.23
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	2.0
Lipinski Rule Of 5	True
Esol	-2.6126694
Inchi	InChI=1S/C13H12O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,10-11,13-15H,12H2,1H3/b3-2+,11-10+/t13-/m1/s1
Smiles	C/C=C/C#CC#CC#C/C=C/[C@H](CO)O
Nring	0.0
Np Classifier Biosynthetic Pathway	Fatty acids
Defined Bond Stereocenter Count	2.0
Egan Rule	True
Np Classifier Superclass	Fatty acyls

1. Outgoing r'ship FOUND_IN to/from Aglaia Forbesii (Plant) Rel Props:Reference:
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3. Outgoing r'ship FOUND_IN to/from Aquilegia Fragrans (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Ardisia Sieboldii (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Asarum Canadense (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Asarum Canadensis (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Asarum Caulescens (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Asarum Europaeum (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Asarum Forbesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
10. Outgoing r'ship FOUND_IN to/from Asarum Heterotropoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
11. Outgoing r'ship FOUND_IN to/from Asarum Himalaicum (Plant) Rel Props:Reference:
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13. Outgoing r'ship FOUND_IN to/from Asarum Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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16. Outgoing r'ship FOUND_IN to/from Bidens Bipinnata (Plant) Rel Props:Source_db:npass_chem_all
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60. Outgoing r'ship FOUND_IN to/from Cheilanthes Fragrans (Plant) Rel Props:Reference:
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62. Outgoing r'ship FOUND_IN to/from Chimonanthus Fragrans (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Chonemorpha Fragrans (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Clerodendron Fragrans (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Cnidium Officinale (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Colliguaja Salicifolia (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Combretum Albidum (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Cynoglossum Officinale (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Debregeasia Salicifolia (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Desmostachya Bipinnata (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Euphrasia Officinale (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Eurycoma Sp (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Fagraea Fragrans (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Faramea Salicifolia (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Ficus Cordata (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Forsythia Giraldiana (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Forsythia Japonica (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Forsythia Koreana (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Forsythia Suspensa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
80. Outgoing r'ship FOUND_IN to/from Forsythia Suspense (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Forsythia Viridissima (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Sp (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Guaiacum Officinale (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Hakea Salicifolia (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Hansenia Forbesii (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Heimia Salicifolia (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Heteropanax Fragrans (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Hippophae Salicifolia (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Hyssopus Officinale (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Jasminum Officinale (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Juniperus Ashei (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Juniperus Bermudiana (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Juniperus Brevifolia (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Juniperus Chinensis (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Juniperus Communis (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Juniperus Drupacea (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Juniperus Excelsa (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Juniperus Formosana (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Juniperus Horizontalis (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Juniperus Indica (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Juniperus Macropoda (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Juniperus Occidentalis (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Juniperus Oxycedrus (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Juniperus Phoenicea (Plant) Rel Props:Reference:
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106. Outgoing r'ship FOUND_IN to/from Juniperus Procera (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Juniperus Pseudosabina (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Juniperus Recurva (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Juniperus Rigida (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Juniperus Sabina (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Juniperus Scopulorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
112. Outgoing r'ship FOUND_IN to/from Juniperus Semiglobosa (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Juniperus Serawschanica (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Juniperus Silicicola (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Juniperus Squamata (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Juniperus Taiwaniana (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Juniperus Thurifera (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Juniperus Virginiana (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Lavandula Bipinnata (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Levisticum Officinale (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Lithospermum Officinale (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Litsea Salicifolia (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Magnolia Acuminata (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Magnolia Biloba (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Magnolia Biondii (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Magnolia Cathcartii (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Magnolia Champaca (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Magnolia Coco (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Magnolia Denudata (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Magnolia Doltsopa (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Magnolia Fargesii (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Magnolia Figo (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Magnolia Fraseri (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Magnolia Grandiflora (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Magnolia Henryi (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Magnolia Kingii (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Magnolia Kobus (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Magnolia Lanuginosa (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Magnolia Lilifera (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Magnolia Liliflora (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Magnolia Liliiflora (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Magnolia Montana (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Magnolia Mutabilis (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Magnolia Obovata (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Magnolia Officinalis (Plant) Rel Props:Reference:
146. Outgoing r'ship FOUND_IN to/from Magnolia Ovata (Plant) Rel Props:Reference:
147. Outgoing r'ship FOUND_IN to/from Magnolia Praecocissima (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Magnolia Pterocarpa (Plant) Rel Props:Reference:
149. Outgoing r'ship FOUND_IN to/from Magnolia Rostrata (Plant) Rel Props:Reference:
150. Outgoing r'ship FOUND_IN to/from Magnolia Salicifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
151. Outgoing r'ship FOUND_IN to/from Magnolia Sieboldii (Plant) Rel Props:Reference:
152. Outgoing r'ship FOUND_IN to/from Magnolia Sprengeri (Plant) Rel Props:Reference:
153. Outgoing r'ship FOUND_IN to/from Magnolia Stellata (Plant) Rel Props:Reference:
154. Outgoing r'ship FOUND_IN to/from Malus Sieboldii (Plant) Rel Props:Reference:
155. Outgoing r'ship FOUND_IN to/from Mannia Fragrans (Plant) Rel Props:Reference:
156. Outgoing r'ship FOUND_IN to/from Myristica Andamanica (Plant) Rel Props:Reference:
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158. Outgoing r'ship FOUND_IN to/from Myristica Cagayanensis (Plant) Rel Props:Reference:
159. Outgoing r'ship FOUND_IN to/from Myristica Dactyloides (Plant) Rel Props:Reference:
160. Outgoing r'ship FOUND_IN to/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
161. Outgoing r'ship FOUND_IN to/from Myristica Gigantea (Plant) Rel Props:Reference:
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167. Outgoing r'ship FOUND_IN to/from Ocimum Adscendens (Plant) Rel Props:Reference:
168. Outgoing r'ship FOUND_IN to/from Ocimum Africanum (Plant) Rel Props:Reference:
169. Outgoing r'ship FOUND_IN to/from Ocimum Album (Plant) Rel Props:Reference:
170. Outgoing r'ship FOUND_IN to/from Ocimum Americanum (Plant) Rel Props:Reference:
171. Outgoing r'ship FOUND_IN to/from Ocimum Basilicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
172. Outgoing r'ship FOUND_IN to/from Ocimum Campechianum (Plant) Rel Props:Reference:
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176. Outgoing r'ship FOUND_IN to/from Ocimum Filamentosum (Plant) Rel Props:Reference:
177. Outgoing r'ship FOUND_IN to/from Ocimum Gratissimum (Plant) Rel Props:Reference:
178. Outgoing r'ship FOUND_IN to/from Ocimum Kilimandscharicum (Plant) Rel Props:Reference:
179. Outgoing r'ship FOUND_IN to/from Ocimum Pilosum (Plant) Rel Props:Reference:
180. Outgoing r'ship FOUND_IN to/from Ocimum Sanctum (Plant) Rel Props:Reference:
181. Outgoing r'ship FOUND_IN to/from Ocimum Selloi (Plant) Rel Props:Reference:
182. Outgoing r'ship FOUND_IN to/from Ocimum Tenuiflorum (Plant) Rel Props:Reference:
183. Outgoing r'ship FOUND_IN to/from Osmanthus Fragrans (Plant) Rel Props:Reference:
184. Outgoing r'ship FOUND_IN to/from Pelargonium Fragrans (Plant) Rel Props:Reference:
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187. Outgoing r'ship FOUND_IN to/from Pterocaulon Sp (Plant) Rel Props:Reference:
188. Outgoing r'ship FOUND_IN to/from Rauvolfia Salicifolia (Plant) Rel Props:Reference:
189. Outgoing r'ship FOUND_IN to/from Rheum Officinale (Plant) Rel Props:Reference:
190. Outgoing r'ship FOUND_IN to/from Rheum Sp (Plant) Rel Props:Reference:
191. Outgoing r'ship FOUND_IN to/from Sassafras Albidum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
192. Outgoing r'ship FOUND_IN to/from Sassafras Officinalis (Plant) Rel Props:Reference:
193. Outgoing r'ship FOUND_IN to/from Sassafras Randainense (Plant) Rel Props:Reference:
194. Outgoing r'ship FOUND_IN to/from Sassafras Tzumu (Plant) Rel Props:Reference:
195. Outgoing r'ship FOUND_IN to/from Saussurea Salicifolia (Plant) Rel Props:Reference:
196. Outgoing r'ship FOUND_IN to/from Schoenocaulon Officinale (Plant) Rel Props:Reference:
197. Outgoing r'ship FOUND_IN to/from Sisymbrium Officinale (Plant) Rel Props:Reference:
198. Outgoing r'ship FOUND_IN to/from Smilax Sieboldii (Plant) Rel Props:Reference:
199. Outgoing r'ship FOUND_IN to/from Stevia Salicifolia (Plant) Rel Props:Reference:
200. Outgoing r'ship FOUND_IN to/from Symphytum Officinale (Plant) Rel Props:Reference:
201. Outgoing r'ship FOUND_IN to/from Taraxacum Officinale (Plant) Rel Props:Reference:
202. Outgoing r'ship FOUND_IN to/from Thunbergia Fragrans (Plant) Rel Props:Reference:
203. Outgoing r'ship FOUND_IN to/from Tillandsia Fragrans (Plant) Rel Props:Reference:
204. Outgoing r'ship FOUND_IN to/from Utleria Salicifolia (Plant) Rel Props:Reference:
205. Outgoing r'ship FOUND_IN to/from Zingiber Aromaticum (Plant) Rel Props:Reference:
206. Outgoing r'ship FOUND_IN to/from Zingiber Capitatum (Plant) Rel Props:Reference:
207. Outgoing r'ship FOUND_IN to/from Zingiber Cassumunar (Plant) Rel Props:Reference:
208. Outgoing r'ship FOUND_IN to/from Zingiber Cernuum (Plant) Rel Props:Reference:
209. Outgoing r'ship FOUND_IN to/from Zingiber Chrysanthum (Plant) Rel Props:Reference:
210. Outgoing r'ship FOUND_IN to/from Zingiber Montanum (Plant) Rel Props:Reference:
211. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
212. Outgoing r'ship FOUND_IN to/from Zingiber Purpureum (Plant) Rel Props:Reference:
213. Outgoing r'ship FOUND_IN to/from Zingiber Roseum (Plant) Rel Props:Reference:
214. Outgoing r'ship FOUND_IN to/from Zingiber Rubens (Plant) Rel Props:Reference:
215. Outgoing r'ship FOUND_IN to/from Zingiber Spectabile (Plant) Rel Props:Reference:
216. Outgoing r'ship FOUND_IN to/from Zingiber Zerumbet (Plant) Rel Props:Reference:

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Safynol

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Phytochemical Properties

Associated Connections 216

Plant Connections 216