3-[(Z)-2-(1-acetylcyclopropyl)prop-1-enyl]-5,5-dimethylcyclopent-2-en-1-one

PubChem CID: 101297664

Connections displayed (default: 10).

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Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CCC(CCC2CC2)C1
Deep Smiles	CC=O)CCC3))/C=CC=CC=O)CC5)C)C))))))/C
Heavy Atom Count	17.0
Classyfire Class	Organooxygen compounds
Scaffold Graph Node Level	OC1CCC(CCC2CC2)C1
Classyfire Subclass	Carbonyl compounds
Isotope Atom Count	0.0
Molecular Complexity	446.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	3-[(Z)-2-(1-acetylcyclopropyl)prop-1-enyl]-5,5-dimethylcyclopent-2-en-1-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organic oxygen compounds
Xlogp	2.3
Gsk 4 400 Rule	True
Molecular Formula	C15H20O2
Scaffold Graph Node Bond Level	O=C1C=C(C=CC2CC2)CC1
Prediction Swissadme	1.0
Inchi Key	QZJJJZCOOVXKLT-YFHOEESVSA-N
Silicos It Class	Soluble
Fcsp3	0.6
Logs	-2.558
Rotatable Bond Count	3.0
Logd	2.078
Synonyms	hypacrone
Esol Class	Soluble
Functional Groups	C/C(C)=CC1=CC(=O)CC1, CC(C)=O
Compound Name	3-[(Z)-2-(1-acetylcyclopropyl)prop-1-enyl]-5,5-dimethylcyclopent-2-en-1-one
Prediction Hob Swissadme	1.0
Exact Mass	232.146
Formal Charge	0.0
Monoisotopic Mass	232.146
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	232.32
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	1.0
Lipinski Rule Of 5	True
Esol	-2.4999025999999995
Inchi	InChI=1S/C15H20O2/c1-10(15(5-6-15)11(2)16)7-12-8-13(17)14(3,4)9-12/h7-8H,5-6,9H2,1-4H3/b10-7-
Smiles	C/C(=C/C1=CC(=O)C(C1)(C)C)/C2(CC2)C(=O)C
Nring	2.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	1.0
Egan Rule	True

1. Outgoing r'ship FOUND_IN to/from Acer Triflorum (Plant) Rel Props:Reference:
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7. Outgoing r'ship FOUND_IN to/from Buddleja Cordata (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Buddleja Crispa (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Buddleja Davidii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
10. Outgoing r'ship FOUND_IN to/from Buddleja Globosa (Plant) Rel Props:Reference:
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20. Outgoing r'ship FOUND_IN to/from Caragana Intermedia (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Caragana Jubata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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46. Outgoing r'ship FOUND_IN to/from Hypolepis Punctata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
47. Outgoing r'ship FOUND_IN to/from Ilex Denticulata (Plant) Rel Props:Reference:
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56. Outgoing r'ship FOUND_IN to/from Lactuca Runcinata (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Lactuca Sativa (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Lactuca Serriola (Plant) Rel Props:Reference:
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60. Outgoing r'ship FOUND_IN to/from Larix Cajanderi (Plant) Rel Props:Reference:
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62. Outgoing r'ship FOUND_IN to/from Larix Gmelini (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Larix Laricina (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Larix Lyallii (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Launaea Acaulis (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Launea Acaulis (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Lepisanthes Tetraphylla (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Lespedeza Davidii (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Lettsomia Setosa (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Macaranga Denticulata (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Mosla Punctata (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Pancratium Triflorum (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Paris Tetraphylla (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Pedicularis Punctata (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Peperomia Duclouxii (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Peperomia Heyneana (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Peperomia Pellucida (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Peperomia Proctorii (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Peperomia Tetraphylla (Plant) Rel Props:Source_db:npass_chem_all
80. Outgoing r'ship FOUND_IN to/from Peperomia Villipetiola (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Peperomia Vulcanica (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Phoenix Acaulis (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Picris Kamtschatica (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Primula Denticulata (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Psoralea Acaulis (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Pyrrosia Davidii (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Rauvolfia Tetraphylla (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Rhaphidophora Decursiva (Plant) Rel Props:Source_db:npass_chem_all
89. Outgoing r'ship FOUND_IN to/from Rhaphidophora Pertusa (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Rhododendron Anthopogon (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Rhododendron Anthopogonoides (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Rhododendron Arboreum (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Rhododendron Aureum (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Rhododendron Barbatum (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Rhododendron Brachycarpum (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Rhododendron Campanulatum (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Rhododendron Campylocarpum (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Rhododendron Capitatum (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Rhododendron Cinnabarinum (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Rhododendron Collettianum (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Rhododendron Dahuricum (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Rhododendron Dauricum (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Rhododendron Edgeworthii (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Rhododendron Ellipticum (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Rhododendron Falconeri (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Rhododendron Farrerae (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Rhododendron Fauriei (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Rhododendron Ferrugineum (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Rhododendron Formosanum (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Rhododendron Formosum (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Rhododendron Grande (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Rhododendron Hodgsonii (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Rhododendron Japonicum (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Rhododendron Javanicum (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Rhododendron Latoucheae (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Rhododendron Lepidotum (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Rhododendron Luteum (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Rhododendron Maximum (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Rhododendron Metternichii (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Rhododendron Micranthum (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Rhododendron Molle (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Rhododendron Mucronatum (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Rhododendron Mucronulatum (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Rhododendron Niveum (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Rhododendron Ovatum (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Rhododendron Ponticum (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Rhododendron Przewalskii (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Rhododendron Simsii (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Rhododendron Spiciforme (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Rhododendron Thomsonii (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Rhododendron Tomentosum (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Rhododendron Ungerni (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Rhododendron Vaccinioides (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Rhododendron Veitchianum (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Rhododendron Webbianum (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Rosa Davidii (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Selaginella Davidii (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Sophora Davidii (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Swertia Punctata (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Tetraneuris Acaulis (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Ulva Lactuca (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Ventilago Denticulata (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Vepris Punctata (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Viburnum Davidii (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Vitis Setosa (Plant) Rel Props:Reference:

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3-[(Z)-2-(1-acetylcyclopropyl)prop-1-enyl]-5,5-dimethylcyclopent-2-en-1-one

Graph

Phytochemical Properties

Associated Connections 145

Plant Connections 145