Umbellulone

PubChem CID: 91195

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Compound Synonyms	Umbellulon, 3-Thujen-2-one, 24545-81-1, THUJEN-2-ONE, 4-Methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-one, Thuj-3-en-2-one, NSC 22046, X5YT6KCX2U, Bicyclo[3.1.0]hex-3-en-2-one, 4-methyl-1-(1-methylethyl)-, 3-Thujene-2-one, BRN 2042730, NSC-22046, 4-Methyl-1-(1-methylethyl)-bicyclo(3.1.0)hex-3-en-2-one, Bicyclo(3.1.0)hex-3-en-2-one, 4-methyl-1-(1-methylethyl)-, DTXSID40871998, 0-07-00-00159 (Beilstein Handbook Reference), 1-Isopropyl-4-methylbicyclo[3.1.0]hex-3-en-2-one, 4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hex-3-en-2-one, 1-Isopropyl-4-methylbicyclo(3.1.0)hex-3-en-2-one, 4-methyl-1-propan-2-ylbicyclo(3.1.0)hex-3-en-2-one, 4-Methyl-1-(1-methylethyl)bicyclo(3.1.0)hex-3-en-2-one, UNII-X5YT6KCX2U, SCHEMBL11921841, DTXCID50819604, NSC22046, AKOS006279841, NS00093948, Q7881242, 4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hex-3-enone, Bicyclo(3.1.0)hex-3-en-2-one, 4-methyl-1-(1-methylethyl)-(9CI)
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	CC1CCC2CC12
Np Classifier Class	Thujane monoterpenoids
Deep Smiles	CC=CC=O)CC5C3))CC)C
Heavy Atom Count	11.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	OC1CCC2CC12
Classyfire Subclass	Monoterpenoids
Isotope Atom Count	0.0
Molecular Complexity	250.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	1.6
Gsk 4 400 Rule	True
Molecular Formula	C10H14O
Scaffold Graph Node Bond Level	O=C1C=CC2CC12
Prediction Swissadme	0.0
Inchi Key	LTTVJAQLCIHAFV-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.7
Logs	-2.355
Rotatable Bond Count	1.0
Logd	1.913
Synonyms	3-thujen-2-one, thujen-2-one, umbellulone
Esol Class	Very soluble
Functional Groups	CC1=CC(=O)CC1
Compound Name	Umbellulone
Prediction Hob Swissadme	0.0
Exact Mass	150.104
Formal Charge	0.0
Monoisotopic Mass	150.104
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	150.22
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	2.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-1.6881701999999998
Inchi	InChI=1S/C10H14O/c1-6(2)10-5-8(10)7(3)4-9(10)11/h4,6,8H,5H2,1-3H3
Smiles	CC1=CC(=O)C2(C1C2)C(C)C
Nring	2.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Monoterpenoids

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5. Outgoing r'ship FOUND_IN to/from Artemisia Afra (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Artemisia Annua (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Artemisia Anomala (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Artemisia Apiacea (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Artemisia Arborescens (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Artemisia Arbuscula (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Artemisia Argentea (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Artemisia Argyi (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Artemisia Assoana (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Artemisia Aucheri (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Artemisia Austriaca (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Artemisia Biennis (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Artemisia Bigelovii (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Artemisia Brevifolia (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Artemisia Caerulescens (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Artemisia Campestris (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Artemisia Canariensis (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Artemisia Capillari (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Artemisia Capillaries (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
25. Outgoing r'ship FOUND_IN to/from Artemisia Carvifolia (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Artemisia Caucasica (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Artemisia Chinensis (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Artemisia Cina (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Artemisia Coerulescens (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Artemisia Dentata (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Artemisia Desertorum (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Artemisia Dracunculus (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Artemisia Gilvescens (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Artemisia Giraldii (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Artemisia Glabella (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Artemisia Gmelini (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Artemisia Gmelinii (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Artemisia Halodendron (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Artemisia Hanseniana (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Artemisia Incanescens (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Artemisia Indica (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Artemisia Iwayomogi (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Artemisia Jacutica (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Artemisia Japonica (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Artemisia Judaica (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Artemisia Juncea (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Artemisia Klotzchiana (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Artemisia Kurramensis (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Artemisia Laciniata (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Artemisia Lactiflora (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Artemisia Ludoviciana (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Artemisia Macrocephala (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Artemisia Maderaspatana (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Artemisia Maritima (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Artemisia Mesatlantica (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Artemisia Mexicana (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Artemisia Minor (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Artemisia Mongolica (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Artemisia Monogyna (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Artemisia Monosperma (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Artemisia Montana (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Artemisia Moorcroftiana (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Artemisia Myriantha (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Artemisia Niirica (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Artemisia Nilagirica (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Artemisia Oranensis (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Artemisia Pallens (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Artemisia Parviflora (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Artemisia Pectinata (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Artemisia Pedemontana (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Artemisia Persica (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Artemisia Porrecta (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Artemisia Princeps (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Artemisia Rehan (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Artemisia Roxbugiana (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Artemisia Roxburghiana (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Artemisia Rubripes (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Artemisia Rupestris (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Artemisia Rutifolia (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Artemisia Salsoloides (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Artemisia Schimperi (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Artemisia Schmidtiana (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Artemisia Schrenkiana (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Artemisia Scoparia (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Artemisia Sieversiana (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Artemisia Siversiana (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Artemisia Stracheyi (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Artemisia Sylvatica (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Artemisia Taurica (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Artemisia Tournefortiana (Plant) Rel Props:Reference:
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100. Outgoing r'ship FOUND_IN to/from Bergenia Stracheyi (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1689
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133. Outgoing r'ship FOUND_IN to/from Cupressus Torulosa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.998721
134. Outgoing r'ship FOUND_IN to/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
135. Outgoing r'ship FOUND_IN to/from Daucus Sativus (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Distemon Indicum (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Eucalyptus Resinifera (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1026
138. Outgoing r'ship FOUND_IN to/from Eucalyptus Tereticornis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1026
139. Outgoing r'ship FOUND_IN to/from Gnaphalium Indicum (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Gossypium Indicum (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Heliophylum Indicum (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Heliotropium Indicum (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Jasminum Chrysanthemum (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Juniperus Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701041
145. Outgoing r'ship FOUND_IN to/from Juniperus Phoenicea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700185
146. Outgoing r'ship FOUND_IN to/from Juniperus Pseudosabina (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700954
147. Outgoing r'ship FOUND_IN to/from Laurus Nobilis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699624
148. Outgoing r'ship FOUND_IN to/from Limeum Indicum (Plant) Rel Props:Reference:
149. Outgoing r'ship FOUND_IN to/from Limnanthemum Indicum (Plant) Rel Props:Reference:
150. Outgoing r'ship FOUND_IN to/from Melanthium Indicum (Plant) Rel Props:Reference:
151. Outgoing r'ship FOUND_IN to/from Melilotus Indicum (Plant) Rel Props:Reference:
152. Outgoing r'ship FOUND_IN to/from Mentha Pulegium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700616
153. Outgoing r'ship FOUND_IN to/from Nasturtium Indicum (Plant) Rel Props:Reference:
154. Outgoing r'ship FOUND_IN to/from Nerium Indicum (Plant) Rel Props:Reference:
155. Outgoing r'ship FOUND_IN to/from Nigella Sativa (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1773
156. Outgoing r'ship FOUND_IN to/from Nymphoides Indicum (Plant) Rel Props:Reference:
157. Outgoing r'ship FOUND_IN to/from Oroxylum Indicum (Plant) Rel Props:Reference:
158. Outgoing r'ship FOUND_IN to/from Pentanema Indicum (Plant) Rel Props:Reference:
159. Outgoing r'ship FOUND_IN to/from Phyllocephalum Indicum (Plant) Rel Props:Reference:
160. Outgoing r'ship FOUND_IN to/from Pimenta Racemosa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9697952
161. Outgoing r'ship FOUND_IN to/from Pinus Pinaster (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1178
162. Outgoing r'ship FOUND_IN to/from Piper Cubeba (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699217
163. Outgoing r'ship FOUND_IN to/from Poeciloneuron Indicum (Plant) Rel Props:Reference:
164. Outgoing r'ship FOUND_IN to/from Rubus Ulmifolius (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699766
165. Outgoing r'ship FOUND_IN to/from Salvadora Persica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699795
166. Outgoing r'ship FOUND_IN to/from Sandoricum Indicum (Plant) Rel Props:Reference:
167. Outgoing r'ship FOUND_IN to/from Santolina Chamaecyparissus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.884769
168. Outgoing r'ship FOUND_IN to/from Sapium Indicum (Plant) Rel Props:Reference:
169. Outgoing r'ship FOUND_IN to/from Sesamum Indicum (Plant) Rel Props:Reference:
170. Outgoing r'ship FOUND_IN to/from Seseli Indicum (Plant) Rel Props:Reference:
171. Outgoing r'ship FOUND_IN to/from Solanum Americanum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895194
172. Outgoing r'ship FOUND_IN to/from Solanum Indicum (Plant) Rel Props:Reference:
173. Outgoing r'ship FOUND_IN to/from Tagetes Tenuifolia (Plant) Rel Props:Reference:ISBN:9788172363093
174. Outgoing r'ship FOUND_IN to/from Tanacetum Vulgare (Plant) Rel Props:Reference:ISBN:9788172363093
175. Outgoing r'ship FOUND_IN to/from Tetraria Capillaris (Plant) Rel Props:Reference:
176. Outgoing r'ship FOUND_IN to/from Teucrium Polium (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1463
177. Outgoing r'ship FOUND_IN to/from Tiaridium Indicum (Plant) Rel Props:Reference:
178. Outgoing r'ship FOUND_IN to/from Trichodesma Indicum (Plant) Rel Props:Reference:
179. Outgoing r'ship FOUND_IN to/from Tricodesma Indicum (Plant) Rel Props:Reference:
180. Outgoing r'ship FOUND_IN to/from Xanthium Indicum (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 180

Plant Connections 180