1(10)-Aristolen-2-one

PubChem CID: 71717616

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Compound Synonyms	1(10)-Aristolen-2-one, 28398-06-3, (1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-1a,2,3,6,7,7b-hexahydrocyclopropa[a]naphthalen-5-one, (1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-1a,2,3,6,7,7b-hexahydrocyclopropa(a)naphthalen-5-one, CHEMBL2333552, CHEBI:228337, HY-N8422, AKOS040760857, FS-6886, DA-69342, E88921, (1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-1aH,2H,3H,6H,7H,7bH-cyclopropa[a]naphthalen-5-one
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CCC2C(CCC3CC32)C1
Np Classifier Class	Aristolane sesquiterpenoids
Deep Smiles	O=CC[C@@H]C)[C@]C=C6)CC[C@@H][C@H]6C3C)C)))))))C
Heavy Atom Count	16.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	OC1CCC2C(CCC3CC32)C1
Classyfire Subclass	Sesquiterpenoids
Isotope Atom Count	0.0
Molecular Complexity	390.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Iupac Name	(1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-1a,2,3,6,7,7b-hexahydrocyclopropa[a]naphthalen-5-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	3.3
Gsk 4 400 Rule	True
Molecular Formula	C15H22O
Scaffold Graph Node Bond Level	O=C1C=C2CCC3CC3C2CC1
Prediction Swissadme	0.0
Inchi Key	OHIBAYUTHVYXER-JWFUOXDNSA-N
Silicos It Class	Soluble
Fcsp3	0.8
Rotatable Bond Count	0.0
Synonyms	1(10)-aristolen-2-one
Esol Class	Soluble
Functional Groups	CC(=O)C=C(C)C
Compound Name	1(10)-Aristolen-2-one
Prediction Hob Swissadme	0.0
Exact Mass	218.167
Formal Charge	0.0
Monoisotopic Mass	218.167
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	218.33
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	-3.2538079999999994
Inchi	InChI=1S/C15H22O/c1-9-7-11(16)8-10-5-6-12-13(14(12,2)3)15(9,10)4/h8-9,12-13H,5-7H2,1-4H3/t9-,12-,13+,15+/m1/s1
Smiles	C[C@@H]1CC(=O)C=C2[C@]1([C@H]3[C@H](C3(C)C)CC2)C
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 Abelia Chinensis (Plant) Rel Props:Reference:
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21. Outgoing r'ship FOUND_IN to/from Aristolochia Fontanesii (Plant) Rel Props:Reference:ISBN:9788185042114
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47. Outgoing r'ship FOUND_IN to/from Atractylodes Chinensis (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Aucuba Chinensis (Plant) Rel Props:Reference:
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50. Outgoing r'ship FOUND_IN to/from Bauhinia Scandens (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Belamcanda Chinensis (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Blumea Chinensis (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Boenninghausenia Albiflora (Plant) Rel Props:Reference:
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60. Outgoing r'ship FOUND_IN to/from Combretum Yunnanensis (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Coptis Chinensis (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Cryptocarya Chinensis (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Cuscuta Chinensis (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Dactylicapnos Scandens (Plant) Rel Props:Reference:
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66. Outgoing r'ship FOUND_IN to/from Desmos Chinensis (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Dianthus Chinensis (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Dicliptera Chinensis (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Embelia Ribes (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Entada Scandens (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Eremurus Chinensis (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Erythropalum Scandens (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Ficus Scandens (Plant) Rel Props:Reference:
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75. Outgoing r'ship FOUND_IN to/from Fraxinus Chinensis (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Gaultheria Yunnanensis (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Yunnanensis (Plant) Rel Props:Reference:
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81. Outgoing r'ship FOUND_IN to/from Humulus Japonicus (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Humulus Lupulus (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Humulus Scandens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
84. Outgoing r'ship FOUND_IN to/from Hydrangea Chinensis (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Impatiens Chinensis (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Inula Britannica (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Iris Lactea (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Ixeris Chinensis (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Ixora Chinensis (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Juniperus Chinensis (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Klaseopsis Chinensis (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Kopsia Albiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
93. Outgoing r'ship FOUND_IN to/from Kopsia Flavida (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Kopsia Fruticosa (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Kopsia Grandifolia (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Kopsia Hainanensis (Plant) Rel Props:Reference:
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108. Outgoing r'ship FOUND_IN to/from Matsumurella Chinensis (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Michelia Yunnanensis (Plant) Rel Props:Reference:
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112. Outgoing r'ship FOUND_IN to/from Mosla Chinensis (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Nardostachys Jatamansi (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
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117. Outgoing r'ship FOUND_IN to/from Paederia Chinensis (Plant) Rel Props:Reference:
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119. Outgoing r'ship FOUND_IN to/from Persicaria Chinensis (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Phlegmariurus Yunnanensis (Plant) Rel Props:Reference:
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130. Outgoing r'ship FOUND_IN to/from Pulsatilla Chinensis (Plant) Rel Props:Reference:
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132. Outgoing r'ship FOUND_IN to/from Rhodotypos Scandens (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Rhus Chinensis (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Ribes Alpinum (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Ribes Fasciculatum (Plant) Rel Props:Reference:
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140. Outgoing r'ship FOUND_IN to/from Ribes Sanguineum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
141. Outgoing r'ship FOUND_IN to/from Rosa Chinensis (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Rubia Yunnanensis (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Salacia Chinensis (Plant) Rel Props:Reference:
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145. Outgoing r'ship FOUND_IN to/from Saururus Chinensis (Plant) Rel Props:Reference:
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147. Outgoing r'ship FOUND_IN to/from Scolopia Chinensis (Plant) Rel Props:Reference:
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151. Outgoing r'ship FOUND_IN to/from Simmondsia Chinensis (Plant) Rel Props:Reference:
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155. Outgoing r'ship FOUND_IN to/from Sphenomeris Chinensis (Plant) Rel Props:Reference:
156. Outgoing r'ship FOUND_IN to/from Stachys Aegyptiaca (Plant) Rel Props:Reference:
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158. Outgoing r'ship FOUND_IN to/from Stachys Byzantina (Plant) Rel Props:Reference:
159. Outgoing r'ship FOUND_IN to/from Stachys Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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167. Outgoing r'ship FOUND_IN to/from Stauntonia Chinensis (Plant) Rel Props:Reference:
168. Outgoing r'ship FOUND_IN to/from Swertia Chinensis (Plant) Rel Props:Reference:
169. Outgoing r'ship FOUND_IN to/from Symplocos Chinensis (Plant) Rel Props:Reference:
170. Outgoing r'ship FOUND_IN to/from Tamarix Chinensis (Plant) Rel Props:Reference:
171. Outgoing r'ship FOUND_IN to/from Taxillus Chinensis (Plant) Rel Props:Reference:
172. Outgoing r'ship FOUND_IN to/from Taxus Chinensis (Plant) Rel Props:Reference:
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174. Outgoing r'ship FOUND_IN to/from Thermopsis Chinensis (Plant) Rel Props:Reference:
175. Outgoing r'ship FOUND_IN to/from Torreya Fargesii (Plant) Rel Props:Reference:
176. Outgoing r'ship FOUND_IN to/from Torreya Yunnanensis (Plant) Rel Props:Reference:
177. Outgoing r'ship FOUND_IN to/from Trollius Chinensis (Plant) Rel Props:Reference:
178. Outgoing r'ship FOUND_IN to/from Tsuga Chinensis (Plant) Rel Props:Reference:
179. Outgoing r'ship FOUND_IN to/from Tupistra Chinensis (Plant) Rel Props:Reference:
180. Outgoing r'ship FOUND_IN to/from Uncaria Scandens (Plant) Rel Props:Reference:
181. Outgoing r'ship FOUND_IN to/from Walsura Yunnanensis (Plant) Rel Props:Reference:
182. Outgoing r'ship FOUND_IN to/from Wedelia Chinensis (Plant) Rel Props:Reference:

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1(10)-Aristolen-2-one

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Phytochemical Properties

Associated Connections 182

Plant Connections 182