Cholest-4-en-3-one

PubChem CID: 91477

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Compound Synonyms	4-Cholesten-3-one, 601-57-0, cholest-4-en-3-one, Cholestenone, 3-Oxocholest-4-ene, delta(sup 4)-Cholestenone, 3-Oxo-4-cholestene, (+)-4-Cholesten-3-one, 4-Cholestenone, 3-Keto-4-cholestene, Cholestenone (delta 4), .delta.4-Cholesten-3-one, EINECS 210-005-1, NSC 63000, NSC 134926, 4-cholestene-3-one, 7T94NHD99C, CHEBI:16175, .DELTA.4-CHOLESTENONE, DTXSID90872379, MFCD00003663, NSC-63000, (8alpha,9beta)-Cholest-4-En-3-One, NSC-134926, (17.BETA.)-17-OCTYLANDROST-4-EN-3-ONE, (8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one, delta4-Cholesten-3-one, (+)-3-Oxo-4-cholestene, UNII-7T94NHD99C, D4-Cholestenone, K2B, 4-cholesten-3-on, 4-Cholesten 3-One, DELTA4-CHOLESTENONE, bmse000519, SCHEMBL55896, .delta.-4-Cholesten-3-one, CHEMBL63243, BDBM92505, DTXCID40820027, (+)-4-Cholesten-3-one, 98%, LMST01010015, AKOS015955628, (17b)-17-Octylandrost-4-en-3-one, FC07001, AS-56879, HY-113365, CS-0062301, NS00014741, C00599, D94645, EN300-398595, (17BETA)-17-OCTYLANDROST-4-EN-3-ONE, Q27098418, Z2375482233, (1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one, (9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one, 210-005-1
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	28.0
Description	Cholestenone is a dehydrocholestanone. It is a product of cholesterol oxidase {EC 1.1.3.6] in the Bile acid biosynthesis pathway (KEGG). [HMDB]
Isotope Atom Count	0.0
Molecular Complexity	630.0
Database Name	cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count	7.0
Enzyme Uniprot Id	P51857
Uniprot Id	n.a., P0DTD1
Iupac Name	(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Prediction Hob	1.0
Class	Steroids and steroid derivatives
Xlogp	8.4
Superclass	Lipids and lipid-like molecules
Subclass	Cholestane steroids
Molecular Formula	C27H44O
Prediction Swissadme	0.0
Inchi Key	NYOXRYYXRWJDKP-GYKMGIIDSA-N
Fcsp3	0.8888888888888888
Logs	-6.418
Rotatable Bond Count	5.0
State	Solid
Logd	6.755
Synonyms	(17b)-17-Octylandrost-4-en-3-one, 3-Oxocholest-4-ene, 4-Cholesten-3-one, Cholest-4-en-3-one, D4-Cholesten-3-one, D4-Cholestenone
Substituent Name	Cholesterol-skeleton, Oxosteroid, 3-oxosteroid, 3-oxo-delta-4-steroid, Delta-4-steroid, Cyclic ketone, Ketone, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic homopolycyclic compound
Compound Name	Cholest-4-en-3-one
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	384.339
Formal Charge	0.0
Monoisotopic Mass	384.339
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	384.6
Covalent Unit Count	1.0
Total Atom Stereocenter Count	7.0
Total Bond Stereocenter Count	0.0
Esol	-7.167917600000001
Inchi	InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
Smiles	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
Nring	4.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Abutilon Graveolens (Plant) Rel Props:Reference:
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18. Outgoing r'ship FOUND_IN to/from Clinopodium Graveolens (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Crotalaria Juncea (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Crotolaria Juncea (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Cymbidium Aloifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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53. Outgoing r'ship FOUND_IN to/from Delphinium Virgatum (Plant) Rel Props:Reference:
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57. Outgoing r'ship FOUND_IN to/from Dioscorea Glabra (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Dittrichia Graveolens (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Eurycoma Sp (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Sp (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Gordonia Obtusa (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Goupia Glabra (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Grewia Obtusa (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Helichrysum Graveolens (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Herniaria Glabra (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Hopea Glabra (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Horsfieldia Glabra (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Hypochoeris Glabra (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Indigofera Glabra (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Juniperus Ashei (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Juniperus Bermudiana (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Juniperus Brevifolia (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Juniperus Chinensis (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Juniperus Communis (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Juniperus Drupacea (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Juniperus Excelsa (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Juniperus Formosana (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Juniperus Horizontalis (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Juniperus Indica (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Juniperus Macropoda (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Juniperus Occidentalis (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Juniperus Oxycedrus (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Juniperus Phoenicea (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Juniperus Polycarpos (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Juniperus Procera (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Juniperus Pseudosabina (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Juniperus Recurva (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Juniperus Rigida (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Juniperus Sabina (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Juniperus Scopulorum (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Juniperus Semiglobosa (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Juniperus Serawschanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
94. Outgoing r'ship FOUND_IN to/from Juniperus Silicicola (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Juniperus Squamata (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Juniperus Taiwaniana (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Juniperus Thurifera (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Juniperus Virginiana (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Ladeania Juncea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
100. Outgoing r'ship FOUND_IN to/from Lespedeza Juncea (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Ligularia Altaica (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Ligularia Amplexicaule (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Ligularia Atroviolacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
104. Outgoing r'ship FOUND_IN to/from Ligularia Clivorum (Plant) Rel Props:Reference:
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107. Outgoing r'ship FOUND_IN to/from Ligularia Dictyoneura (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Ligularia Fischeri (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Ligularia Hodgsonii (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Ligularia Hookeri (Plant) Rel Props:Reference:
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112. Outgoing r'ship FOUND_IN to/from Ligularia Jacquemontiana (Plant) Rel Props:Reference:
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114. Outgoing r'ship FOUND_IN to/from Ligularia Lapathifolia (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Ligularia Macrophylla (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Ligularia Muliensis (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Ligularia Nelumbifolia (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Ligularia Platyglossa (Plant) Rel Props:Reference:
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129. Outgoing r'ship FOUND_IN to/from Melia Dubia (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Melia Indica (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Mussaenda Glabra (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Pelargonium Graveolens (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Persicaria Glabra (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Peucedanum Dhana (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Peucedanum Govanianum (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Peucedanum Grande (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Peucedanum Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
138. Outgoing r'ship FOUND_IN to/from Peucedanum Japonicum (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Peucedanum Longifolium (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Peucedanum Morisonii (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Peucedanum Nagpurense (Plant) Rel Props:Reference:
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146. Outgoing r'ship FOUND_IN to/from Peucedanum Praeruptorum (Plant) Rel Props:Reference:
147. Outgoing r'ship FOUND_IN to/from Peucedanum Rubricaule (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Peucedanum Ruthenicum (Plant) Rel Props:Reference:
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150. Outgoing r'ship FOUND_IN to/from Peucedanum Terebinthaceum (Plant) Rel Props:Reference:
151. Outgoing r'ship FOUND_IN to/from Plumeria Obtusa (Plant) Rel Props:Reference:
152. Outgoing r'ship FOUND_IN to/from Polyscias Scutellaria (Plant) Rel Props:Reference:
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155. Outgoing r'ship FOUND_IN to/from Rheum Sp (Plant) Rel Props:Reference:
156. Outgoing r'ship FOUND_IN to/from Ruta Graveolens (Plant) Rel Props:Reference:
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158. Outgoing r'ship FOUND_IN to/from Scutellaria Albida (Plant) Rel Props:Reference:
159. Outgoing r'ship FOUND_IN to/from Scutellaria Altissima (Plant) Rel Props:Reference:
160. Outgoing r'ship FOUND_IN to/from Scutellaria Amoena (Plant) Rel Props:Reference:
161. Outgoing r'ship FOUND_IN to/from Scutellaria Baicalensis (Plant) Rel Props:Reference:
162. Outgoing r'ship FOUND_IN to/from Scutellaria Balcalensis (Plant) Rel Props:Reference:
163. Outgoing r'ship FOUND_IN to/from Scutellaria Barbata (Plant) Rel Props:Reference:
164. Outgoing r'ship FOUND_IN to/from Scutellaria Discolor (Plant) Rel Props:Reference:
165. Outgoing r'ship FOUND_IN to/from Scutellaria Epilobifolia (Plant) Rel Props:Reference:
166. Outgoing r'ship FOUND_IN to/from Scutellaria Galericulata (Plant) Rel Props:Reference:
167. Outgoing r'ship FOUND_IN to/from Scutellaria Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
168. Outgoing r'ship FOUND_IN to/from Scutellaria Hypericifolia (Plant) Rel Props:Reference:
169. Outgoing r'ship FOUND_IN to/from Scutellaria Indica (Plant) Rel Props:Reference:
170. Outgoing r'ship FOUND_IN to/from Scutellaria Lateriflora (Plant) Rel Props:Reference:
171. Outgoing r'ship FOUND_IN to/from Scutellaria Likiangensis (Plant) Rel Props:Reference:
172. Outgoing r'ship FOUND_IN to/from Scutellaria Orientalis (Plant) Rel Props:Reference:
173. Outgoing r'ship FOUND_IN to/from Scutellaria Prostata (Plant) Rel Props:Reference:
174. Outgoing r'ship FOUND_IN to/from Scutellaria Przewalskii (Plant) Rel Props:Reference:
175. Outgoing r'ship FOUND_IN to/from Scutellaria Rehderiana (Plant) Rel Props:Reference:
176. Outgoing r'ship FOUND_IN to/from Scutellaria Scandens (Plant) Rel Props:Reference:
177. Outgoing r'ship FOUND_IN to/from Scutellaria Seleriana (Plant) Rel Props:Reference:
178. Outgoing r'ship FOUND_IN to/from Scutellaria Sieberi (Plant) Rel Props:Reference:
179. Outgoing r'ship FOUND_IN to/from Scutellaria Viscidula (Plant) Rel Props:Reference:
180. Outgoing r'ship FOUND_IN to/from Sinapis Juncea (Plant) Rel Props:Reference:
181. Outgoing r'ship FOUND_IN to/from Smilax Glabra (Plant) Rel Props:Reference:
182. Outgoing r'ship FOUND_IN to/from Stephania Glabra (Plant) Rel Props:Reference:
183. Outgoing r'ship FOUND_IN to/from Trifolium Alexandrinum (Plant) Rel Props:Reference:
184. Outgoing r'ship FOUND_IN to/from Trifolium Alexandrium (Plant) Rel Props:Reference:
185. Outgoing r'ship FOUND_IN to/from Trifolium Apertum (Plant) Rel Props:Reference:
186. Outgoing r'ship FOUND_IN to/from Trifolium Diffusum (Plant) Rel Props:Reference:
187. Outgoing r'ship FOUND_IN to/from Trifolium Dubium (Plant) Rel Props:Reference:
188. Outgoing r'ship FOUND_IN to/from Trifolium Fragiferum (Plant) Rel Props:Reference:
189. Outgoing r'ship FOUND_IN to/from Trifolium Fruticosa (Plant) Rel Props:Reference:
190. Outgoing r'ship FOUND_IN to/from Trifolium Hybridum (Plant) Rel Props:Reference:
191. Outgoing r'ship FOUND_IN to/from Trifolium Montanum (Plant) Rel Props:Reference:
192. Outgoing r'ship FOUND_IN to/from Trifolium Pannonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
193. Outgoing r'ship FOUND_IN to/from Trifolium Pratense (Plant) Rel Props:Reference:
194. Outgoing r'ship FOUND_IN to/from Trifolium Pretense (Plant) Rel Props:Reference:
195. Outgoing r'ship FOUND_IN to/from Trifolium Repens (Plant) Rel Props:Reference:
196. Outgoing r'ship FOUND_IN to/from Trifolium Resupinatum (Plant) Rel Props:Reference:
197. Outgoing r'ship FOUND_IN to/from Trifolium Strepens (Plant) Rel Props:Reference:
198. Outgoing r'ship FOUND_IN to/from Trifolium Subterraneum (Plant) Rel Props:Reference:
199. Outgoing r'ship FOUND_IN to/from Tripolium Pannonicum (Plant) Rel Props:Reference:
200. Outgoing r'ship FOUND_IN to/from Ulmus Glabra (Plant) Rel Props:Reference:
201. Outgoing r'ship FOUND_IN to/from Waldheimia Glabra (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 201

Plant Connections 201