Isopinocamphone

PubChem CID: 84532

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Compound Synonyms	Isopinocamphone, 14575-93-0, (-)-Isopinocamphone, cis-3-pinanone, Isocamphopinone, (1S,2S,5R)-2,6,6-TRIMETHYLBICYCLO[3.1.1]HEPTAN-3-ONE, [1S-(1alpha,2beta,5alpha)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one, Q366628FXX, EINECS 239-394-6, EINECS 250-212-4, ISOPINOCAMPHONE [FHFI], FEMA NO. 4198, Bicyclo(3.1.1)heptan-3-one, 2,6,6-trimethyl-, (1R,2R,5S)-rel-, Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1R,2R,5S)-rel-, (1)-(1alpha,2beta,5alpha)-2,6,6-Trimethylbicyclo(3.1.1)heptan-3-one, (1S-(1alpha,2beta,5alpha))-2,6,6-Trimethylbicyclo(3.1.1)heptan-3-one, Bicyclo(3.1.1)heptan-3-one, 2,6,6-trimethyl-, (1alpha,2beta,5alpha)-, BICYCLO(3.1.1)HEPTAN-3-ONE, 2,6,6-TRIMETHYL-, (1.ALPHA.,2.BETA.,5.ALPHA.)-, (1S,2S,5R)-2,6,6-Trimethylbicyclo(3.1.1)heptan-3-one, Isopinocamphon, S-pinocamphone, UNII-Q366628FXX, Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1alpha,2beta,5alpha)-, EINECS 238-619-5, CIS-PINOCAMPHONE, (+/-)-ISOPINOCAMPHONE, SCHEMBL15210011, DTXSID30881208, CHEBI:171987, MQPHVIPKLRXGDJ-RNJXMRFFSA-N, CIS-(+/-)-3-PINANONE, NS00043385, EN300-20155131, Q27286945
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CC2CC(C1)C2
Np Classifier Class	Pinane monoterpenoids
Deep Smiles	O=CC[C@H]C[C@@H][C@@H]6C))C4C)C
Heavy Atom Count	11.0
Classyfire Class	Prenol lipids
Description	Constituent of Mentha aquatica (water mint). (-)-Isopinocamphone is found in tea, hyssop, and spearmint.
Scaffold Graph Node Level	OC1CC2CC(C1)C2
Classyfire Subclass	Monoterpenoids
Isotope Atom Count	0.0
Molecular Complexity	205.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	3.0
Iupac Name	(1S,2S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
Prediction Hob	1.0
Class	Prenol lipids
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	2.3
Superclass	Lipids and lipid-like molecules
Subclass	Monoterpenoids
Gsk 4 400 Rule	True
Molecular Formula	C10H16O
Scaffold Graph Node Bond Level	O=C1CC2CC(C1)C2
Prediction Swissadme	0.0
Inchi Key	MQPHVIPKLRXGDJ-RNJXMRFFSA-N
Silicos It Class	Soluble
Fcsp3	0.9
Logs	-2.508
Rotatable Bond Count	0.0
Logd	3.206
Synonyms	(-)-Isopinocamphone, cis-3-Pinanone, Isopinocamphone, iso-pinocamphone, isopinocamphone, isopinocamphone (cis-3-pinanone)
Esol Class	Soluble
Functional Groups	CC(C)=O
Compound Name	Isopinocamphone
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	152.12
Formal Charge	0.0
Monoisotopic Mass	152.12
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	152.23
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	3.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aliphatic homopolycyclic compounds
Lipinski Rule Of 5	True
Esol	-2.2139694
Inchi	InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m0/s1
Smiles	C[C@H]1[C@@H]2C[C@@H](C2(C)C)CC1=O
Nring	3.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	Bicyclic monoterpenoids
Np Classifier Superclass	Monoterpenoids

1. Outgoing r'ship FOUND_IN to/from Abies Balsamea (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644040
2. Outgoing r'ship FOUND_IN to/from Achillea Millefolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701140
3. Outgoing r'ship FOUND_IN to/from Alisma Orientalis (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Aloysia Gratissima (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700183
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9. Outgoing r'ship FOUND_IN to/from Artemisia Abrotanum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100105
10. Outgoing r'ship FOUND_IN to/from Artemisia Absinthium (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100105
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30. Outgoing r'ship FOUND_IN to/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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42. Outgoing r'ship FOUND_IN to/from Artemisia Gmelini (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Artemisia Gmelinii (Plant) Rel Props:Reference:ISBN:9788172362089
44. Outgoing r'ship FOUND_IN to/from Artemisia Halodendron (Plant) Rel Props:Reference:
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55. Outgoing r'ship FOUND_IN to/from Artemisia Laciniata (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Artemisia Lactiflora (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Artemisia Ludoviciana (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Artemisia Macrocephala (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Artemisia Maderaspatana (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Artemisia Maritima (Plant) Rel Props:Reference:ISBN:9788172362089
61. Outgoing r'ship FOUND_IN to/from Artemisia Mesatlantica (Plant) Rel Props:Reference:
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68. Outgoing r'ship FOUND_IN to/from Artemisia Moorcroftiana (Plant) Rel Props:Reference:
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73. Outgoing r'ship FOUND_IN to/from Artemisia Pallens (Plant) Rel Props:Reference:
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76. Outgoing r'ship FOUND_IN to/from Artemisia Pedemontana (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Artemisia Persica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895181
78. Outgoing r'ship FOUND_IN to/from Artemisia Porrecta (Plant) Rel Props:Reference:
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86. Outgoing r'ship FOUND_IN to/from Artemisia Salsoloides (Plant) Rel Props:Reference:
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88. Outgoing r'ship FOUND_IN to/from Artemisia Schmidtiana (Plant) Rel Props:Reference:
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90. Outgoing r'ship FOUND_IN to/from Artemisia Scoparia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895181
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101. Outgoing r'ship FOUND_IN to/from Artemisia Vestita (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Artemisia Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100105
103. Outgoing r'ship FOUND_IN to/from Artemisia Wallichiana (Plant) Rel Props:Reference:
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116. Outgoing r'ship FOUND_IN to/from Celtis Orientalis (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Cinchona Officinalis (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Citrus Paradisi (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1119
119. Outgoing r'ship FOUND_IN to/from Citrus Reticulata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2019.1596845
120. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2019.1596845
121. Outgoing r'ship FOUND_IN to/from Clematis Orientalis (Plant) Rel Props:Reference:
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125. Outgoing r'ship FOUND_IN to/from Cubela Officinalis (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Cyperus Rotundus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2004.10643373
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131. Outgoing r'ship FOUND_IN to/from Euodia Officinalis (Plant) Rel Props:Reference:
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138. Outgoing r'ship FOUND_IN to/from Gynochthodes Officinalis (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Hyacinthus Orientalis (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Hyssopus Officinale (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Hyssopus Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
142. Outgoing r'ship FOUND_IN to/from Juniperus Communis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1527
143. Outgoing r'ship FOUND_IN to/from Juniperus Excelsa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700273
144. Outgoing r'ship FOUND_IN to/from Juniperus Phoenicea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700185
145. Outgoing r'ship FOUND_IN to/from Juniperus Polycarpos (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700273
146. Outgoing r'ship FOUND_IN to/from Juniperus Rigida (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698461
147. Outgoing r'ship FOUND_IN to/from Kopsia Officinalis (Plant) Rel Props:Reference:
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150. Outgoing r'ship FOUND_IN to/from Lippia Alba (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199801/02)13:1<47::aid-ffj690>3.0.co;2-0
151. Outgoing r'ship FOUND_IN to/from Liquidambar Orientalis (Plant) Rel Props:Reference:
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155. Outgoing r'ship FOUND_IN to/from Melilotus Officinalis (Plant) Rel Props:Reference:
156. Outgoing r'ship FOUND_IN to/from Melissa Officinalis (Plant) Rel Props:Reference:
157. Outgoing r'ship FOUND_IN to/from Mentha Spicata (Plant) Rel Props:Source_db:fooddb_chem_all
158. Outgoing r'ship FOUND_IN to/from Myristica Officinalis (Plant) Rel Props:Reference:
159. Outgoing r'ship FOUND_IN to/from Nauclea Officinalis (Plant) Rel Props:Reference:
160. Outgoing r'ship FOUND_IN to/from Nauclea Orientalis (Plant) Rel Props:Reference:
161. Outgoing r'ship FOUND_IN to/from Ocimum Gratissimum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698966
162. Outgoing r'ship FOUND_IN to/from Paeonia Officinalis (Plant) Rel Props:Reference:
163. Outgoing r'ship FOUND_IN to/from Pelargonium Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.12067128
164. Outgoing r'ship FOUND_IN to/from Perriera Orientalis (Plant) Rel Props:Reference:
165. Outgoing r'ship FOUND_IN to/from Persicaria Orientalis (Plant) Rel Props:Reference:
166. Outgoing r'ship FOUND_IN to/from Petasites Officinalis (Plant) Rel Props:Reference:
167. Outgoing r'ship FOUND_IN to/from Pimenta Officinalis (Plant) Rel Props:Reference:
168. Outgoing r'ship FOUND_IN to/from Pinus Pinaster (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1178
169. Outgoing r'ship FOUND_IN to/from Platanus Orientalis (Plant) Rel Props:Reference:
170. Outgoing r'ship FOUND_IN to/from Platycladus Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
171. Outgoing r'ship FOUND_IN to/from Pothos Officinalis (Plant) Rel Props:Reference:
172. Outgoing r'ship FOUND_IN to/from Pterocarpus Officinalis (Plant) Rel Props:Reference:
173. Outgoing r'ship FOUND_IN to/from Rosmarinus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2005.10643423
174. Outgoing r'ship FOUND_IN to/from Salvia Officinalis (Plant) Rel Props:Reference:
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176. Outgoing r'ship FOUND_IN to/from Santolina Chamaecyparissus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9697907
177. Outgoing r'ship FOUND_IN to/from Saponaria Officinalis (Plant) Rel Props:Reference:
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179. Outgoing r'ship FOUND_IN to/from Scindapsus Officinalis (Plant) Rel Props:Reference:
180. Outgoing r'ship FOUND_IN to/from Scutellaria Orientalis (Plant) Rel Props:Reference:
181. Outgoing r'ship FOUND_IN to/from Seriphidium Brevifolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698005
182. Outgoing r'ship FOUND_IN to/from Sida Orientalis (Plant) Rel Props:Reference:
183. Outgoing r'ship FOUND_IN to/from Siegesbeckia Orientalis (Plant) Rel Props:Reference:
184. Outgoing r'ship FOUND_IN to/from Sigesbeckia Orientalis (Plant) Rel Props:Reference:
185. Outgoing r'ship FOUND_IN to/from Stipa Orientalis (Plant) Rel Props:Reference:
186. Outgoing r'ship FOUND_IN to/from Styrax Officinalis (Plant) Rel Props:Reference:
187. Outgoing r'ship FOUND_IN to/from Taxodium Distichum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701161
188. Outgoing r'ship FOUND_IN to/from Tetraria Capillaris (Plant) Rel Props:Reference:
189. Outgoing r'ship FOUND_IN to/from Thuja Orientalis (Plant) Rel Props:Reference:
190. Outgoing r'ship FOUND_IN to/from Tragopogon Orientalis (Plant) Rel Props:Reference:
191. Outgoing r'ship FOUND_IN to/from Trema Orientalis (Plant) Rel Props:Reference:
192. Outgoing r'ship FOUND_IN to/from Typha Orientalis (Plant) Rel Props:Reference:
193. Outgoing r'ship FOUND_IN to/from Uncaria Orientalis (Plant) Rel Props:Reference:
194. Outgoing r'ship FOUND_IN to/from Valeriana Officinalis (Plant) Rel Props:Reference:
195. Outgoing r'ship FOUND_IN to/from Verbena Officinalis (Plant) Rel Props:Reference:
196. Outgoing r'ship FOUND_IN to/from Vismia Orientalis (Plant) Rel Props:Reference:
197. Outgoing r'ship FOUND_IN to/from Woodwardia Orientalis (Plant) Rel Props:Reference:
198. Outgoing r'ship FOUND_IN to/from Wulfenia Orientalis (Plant) Rel Props:Reference:
199. Outgoing r'ship FOUND_IN to/from Xanthium Orientale (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3084
200. Outgoing r'ship FOUND_IN to/from Zingiber Zerumbet (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9712114
201. Outgoing r'ship FOUND_IN to/from Zosima Orientalis (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 201

Plant Connections 201