2-[(2R,4aS,6S,8aS)-6-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid

PubChem CID: 13995524

Connections displayed (default: 10).

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Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CCCC2CCCCC12
Np Classifier Class	Eudesmane sesquiterpenoids
Deep Smiles	O[C@H]CC=C)[C@H][C@@]C6)C)CC[C@H]C6)C=C)C=O)O
Heavy Atom Count	18.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	CC1CCCC2CCCCC12
Classyfire Subclass	Sesquiterpenoids
Isotope Atom Count	0.0
Molecular Complexity	399.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Iupac Name	2-[(2R,4aS,6S,8aS)-6-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	2.8
Gsk 4 400 Rule	True
Molecular Formula	C15H22O3
Scaffold Graph Node Bond Level	C=C1CCCC2CCCCC12
Prediction Swissadme	1.0
Inchi Key	OJYAVFSVHFLUKN-OSFYFWSMSA-N
Silicos It Class	Soluble
Fcsp3	0.6666666666666666
Logs	-3.323
Rotatable Bond Count	2.0
Logd	-0.236
Synonyms	2-hydroxycostic acid, 2α-hydroxycostic acid
Esol Class	Soluble
Functional Groups	C=C(C)C, C=C(C)C(=O)O, CO
Compound Name	2-[(2R,4aS,6S,8aS)-6-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
Prediction Hob Swissadme	1.0
Exact Mass	250.157
Formal Charge	0.0
Monoisotopic Mass	250.157
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	250.33
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	-3.0177956
Inchi	InChI=1S/C15H22O3/c1-9-6-12(16)8-15(3)5-4-11(7-13(9)15)10(2)14(17)18/h11-13,16H,1-2,4-8H2,3H3,(H,17,18)/t11-,12+,13+,15+/m1/s1
Smiles	C[C@@]12CC[C@H](C[C@H]1C(=C)C[C@@H](C2)O)C(=C)C(=O)O
Nring	8.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Sesquiterpenoids

1. Outgoing r'ship FOUND_IN to/from Abelmoschus Crinitus (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Abelmoschus Esculentus (Plant) Rel Props:Source_db:npass_chem_all
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40. Outgoing r'ship FOUND_IN to/from Acacia Nilotica (Plant) Rel Props:Reference:
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51. Outgoing r'ship FOUND_IN to/from Acacia Schweinfurthii (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Acacia Senegal (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Acacia Seyal (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Acacia Simplicifolia (Plant) Rel Props:Reference:
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56. Outgoing r'ship FOUND_IN to/from Acacia Sparsiflora (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Acacia Spirorbis (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Acacia Tomentosa (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Acacia Torta (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Acacia Tortilis (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Acacia Victoria (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Aglaia Argentea (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Ailanthus Excelsa (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Allamanda Schottii (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Aloe Littoralis (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Altingia Excelsa (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Argusia Argentea (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Aristolochia Littoralis (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Artemisia Argentea (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Attalea Excelsa (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Averrhoa Bilimbi (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Averrhoa Carambola (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
73. Outgoing r'ship FOUND_IN to/from Blumea Balsamifera (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Celosia Argentea (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Cinchona Excelsa (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Corchorus Fascicularis (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Cordia Americana (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Cordia Curassavica (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Cordia Cylindrostachya (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Cordia Dichotoma (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Cordia Elaeagnoides (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Cordia Globosa (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Cordia Grandis (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Cordia Leucocephala (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Cordia Macleodii (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Cordia Monoica (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Cordia Multispicata (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Cordia Myxa (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Cordia Sebestena (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Cordia Sinensis (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Cordia Subcordata (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Cordia Wlichii (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Crinum Amabile (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Crinum Amoenum (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Crinum Asiaticum (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Crinum Brachynema (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Crinum Bulbispermum (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Crinum Defixum (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Crinum Erubescens (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Crinum Giganteum (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Crinum Jagus (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Crinum Kirkii (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Crinum Latifolium (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Crinum Laurentii (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Crinum Lorifolium (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Crinum Macowanii (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Crinum Macrantherum (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Crinum Moorei (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Crinum Powellii (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Crinum Pratense (Plant) Rel Props:Source_db:npass_chem_all
111. Outgoing r'ship FOUND_IN to/from Crinum Stuhlmannii (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Crinum Viviparum (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Crinum Woodrowii (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Crinum Yemense (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Crinum Zeylanicum (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Cyperus Esculentus (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Dendrobium Amoenum (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Dendrobium Amplum (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Dendrobium Aphyllum (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Dendrobium Ariaeflorum (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Dendrobium Aurantiacum (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Dendrobium Candidum (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Dendrobium Capillipes (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Dendrobium Chrysanthum (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Dendrobium Chrysotoxum (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Dendrobium Crepidatum (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Dendrobium Cumulatum (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Dendrobium Densiflorum (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Dendrobium Devosianum (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Dendrobium Fimbriatum (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Dendrobium Loddigesii (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Dendrobium Macraei (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Dendrobium Macrostachyum (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Dendrobium Moniliforme (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Dendrobium Moschatum (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Dendrobium Nobile (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Dendrobium Polyanthum (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Dendrobium Rotundatum (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Dendrobium Secundum (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Dendrobium Thyrsiflorum (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Dittrichia Graveolens (Plant) Rel Props:Reference:ISBN:9788172362300
142. Outgoing r'ship FOUND_IN to/from Drypetes Littoralis (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Equisetum Pratense (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Etlingera Elatior (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Etlingera Linguiformis (Plant) Rel Props:Reference:
146. Outgoing r'ship FOUND_IN to/from Euphorbia Balsamifera (Plant) Rel Props:Reference:
147. Outgoing r'ship FOUND_IN to/from Fimbristylis Argentea (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Gentiana Argentea (Plant) Rel Props:Reference:
149. Outgoing r'ship FOUND_IN to/from Geranium Pratense (Plant) Rel Props:Reference:
150. Outgoing r'ship FOUND_IN to/from Glehnia Littoralis (Plant) Rel Props:Reference:
151. Outgoing r'ship FOUND_IN to/from Griselinia Littoralis (Plant) Rel Props:Reference:
152. Outgoing r'ship FOUND_IN to/from Helichrysum Angustifolium (Plant) Rel Props:Reference:
153. Outgoing r'ship FOUND_IN to/from Helichrysum Anomalum (Plant) Rel Props:Reference:
154. Outgoing r'ship FOUND_IN to/from Helichrysum Arenarium (Plant) Rel Props:Reference:
155. Outgoing r'ship FOUND_IN to/from Helichrysum Asperum (Plant) Rel Props:Reference:
156. Outgoing r'ship FOUND_IN to/from Helichrysum Auriceps (Plant) Rel Props:Reference:
157. Outgoing r'ship FOUND_IN to/from Helichrysum Buddleioides (Plant) Rel Props:Reference:
158. Outgoing r'ship FOUND_IN to/from Helichrysum Caespititium (Plant) Rel Props:Reference:
159. Outgoing r'ship FOUND_IN to/from Helichrysum Candolleanum (Plant) Rel Props:Reference:
160. Outgoing r'ship FOUND_IN to/from Helichrysum Cephaloideum (Plant) Rel Props:Reference:
161. Outgoing r'ship FOUND_IN to/from Helichrysum Chionosphaerum (Plant) Rel Props:Reference:
162. Outgoing r'ship FOUND_IN to/from Helichrysum Cymosum (Plant) Rel Props:Reference:
163. Outgoing r'ship FOUND_IN to/from Helichrysum Davenportii (Plant) Rel Props:Reference:
164. Outgoing r'ship FOUND_IN to/from Helichrysum Dendroideum (Plant) Rel Props:Reference:
165. Outgoing r'ship FOUND_IN to/from Helichrysum Drakensbergense (Plant) Rel Props:Reference:
166. Outgoing r'ship FOUND_IN to/from Helichrysum Fulvum (Plant) Rel Props:Reference:
167. Outgoing r'ship FOUND_IN to/from Helichrysum Graveolens (Plant) Rel Props:Reference:
168. Outgoing r'ship FOUND_IN to/from Helichrysum Italicum (Plant) Rel Props:Reference:
169. Outgoing r'ship FOUND_IN to/from Helichrysum Lepidissimum (Plant) Rel Props:Reference:
170. Outgoing r'ship FOUND_IN to/from Helichrysum Lindleyi (Plant) Rel Props:Reference:
171. Outgoing r'ship FOUND_IN to/from Helichrysum Microphyllum (Plant) Rel Props:Reference:
172. Outgoing r'ship FOUND_IN to/from Helichrysum Mixtum (Plant) Rel Props:Reference:
173. Outgoing r'ship FOUND_IN to/from Helichrysum Nitens (Plant) Rel Props:Reference:
174. Outgoing r'ship FOUND_IN to/from Helichrysum Nudifolium (Plant) Rel Props:Reference:
175. Outgoing r'ship FOUND_IN to/from Helichrysum Odoratissimum (Plant) Rel Props:Reference:
176. Outgoing r'ship FOUND_IN to/from Helichrysum Subulifolium (Plant) Rel Props:Reference:
177. Outgoing r'ship FOUND_IN to/from Helichrysum Sutherlandii (Plant) Rel Props:Reference:
178. Outgoing r'ship FOUND_IN to/from Helichrysum Tenuifolium (Plant) Rel Props:Reference:
179. Outgoing r'ship FOUND_IN to/from Helichrysum Zeyheri (Plant) Rel Props:Reference:
180. Outgoing r'ship FOUND_IN to/from Helicia Excelsa (Plant) Rel Props:Reference:
181. Outgoing r'ship FOUND_IN to/from Heritiera Littoralis (Plant) Rel Props:Reference:
182. Outgoing r'ship FOUND_IN to/from Hibiscus Abelmoschus (Plant) Rel Props:Reference:
183. Outgoing r'ship FOUND_IN to/from Hibiscus Esculentus (Plant) Rel Props:Reference:
184. Outgoing r'ship FOUND_IN to/from Hippocratea Excelsa (Plant) Rel Props:Reference:
185. Outgoing r'ship FOUND_IN to/from Hymenocallis Littoralis (Plant) Rel Props:Reference:
186. Outgoing r'ship FOUND_IN to/from Ilex Excelsa (Plant) Rel Props:Reference:
187. Outgoing r'ship FOUND_IN to/from Juniperus Excelsa (Plant) Rel Props:Reference:
188. Outgoing r'ship FOUND_IN to/from Knightia Excelsa (Plant) Rel Props:Reference:
189. Outgoing r'ship FOUND_IN to/from Licaria Chrysophylla (Plant) Rel Props:Reference:
190. Outgoing r'ship FOUND_IN to/from Lophocereus Marginatus (Plant) Rel Props:Reference:
191. Outgoing r'ship FOUND_IN to/from Manilkara Littoralis (Plant) Rel Props:Reference:
192. Outgoing r'ship FOUND_IN to/from Milicia Excelsa (Plant) Rel Props:Reference:
193. Outgoing r'ship FOUND_IN to/from Myristica Argentea (Plant) Rel Props:Reference:
194. Outgoing r'ship FOUND_IN to/from Phleum Pratense (Plant) Rel Props:Reference:
195. Outgoing r'ship FOUND_IN to/from Picrasma Excelsa (Plant) Rel Props:Reference:
196. Outgoing r'ship FOUND_IN to/from Pinus Excelsa (Plant) Rel Props:Reference:
197. Outgoing r'ship FOUND_IN to/from Pityrogramma Calomelanos (Plant) Rel Props:Reference:
198. Outgoing r'ship FOUND_IN to/from Pityrogramma Ebenea (Plant) Rel Props:Reference:
199. Outgoing r'ship FOUND_IN to/from Pityrogramma Tartarea (Plant) Rel Props:Reference:
200. Outgoing r'ship FOUND_IN to/from Populus Balsamifera (Plant) Rel Props:Reference:
201. Outgoing r'ship FOUND_IN to/from Potentilla Argentea (Plant) Rel Props:Reference:
202. Outgoing r'ship FOUND_IN to/from Sophora Chrysophylla (Plant) Rel Props:Reference:
203. Outgoing r'ship FOUND_IN to/from Sphaeranthus Indicus (Plant) Rel Props:Reference:ISBN:9788185042138
204. Outgoing r'ship FOUND_IN to/from Sphaeranthus Senegalensis (Plant) Rel Props:Reference:ISBN:9788172361792
205. Outgoing r'ship FOUND_IN to/from Tournefortia Argentea (Plant) Rel Props:Reference:
206. Outgoing r'ship FOUND_IN to/from Trifolium Pratense (Plant) Rel Props:Reference:
207. Outgoing r'ship FOUND_IN to/from Verbena Littoralis (Plant) Rel Props:Reference:

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2-[(2R,4aS,6S,8aS)-6-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid

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Phytochemical Properties

Associated Connections 207

Plant Connections 207