blumenol B

PubChem CID: 14135402

Connections displayed (default: 10).

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Compound Synonyms	blumenol B, 7,8-Dihydrovomifoliol, 36151-01-6, (4S)-4-HYDROXY-4-[(3R)-3-HYDROXYBUTYL]-3,5,5-TRIMETHYLCYCLOHEX-2-EN-1-ONE, Dihydrovomifoliol, CHEMBL444659, (4S)-4-Hydroxy-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethyl-2-cyclohexen-1-one, Blumenol B, CWOFGGNDZOPNFG-ZWNOBZJWSA-N, HY-N2944, AKOS040761422, FS-9805, CS-0023570
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CCCCC1
Np Classifier Class	Apocarotenoids(ε-)
Deep Smiles	C[C@H]CC[C@@]O)C=CC=O)CC6C)C)))))C)))))O
Heavy Atom Count	16.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	OC1CCCCC1
Classyfire Subclass	Sesquiterpenoids
Isotope Atom Count	0.0
Molecular Complexity	317.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	2.0
Iupac Name	(4S)-4-hydroxy-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	0.8
Gsk 4 400 Rule	True
Molecular Formula	C13H22O3
Scaffold Graph Node Bond Level	O=C1C=CCCC1
Prediction Swissadme	1.0
Inchi Key	CWOFGGNDZOPNFG-ZWNOBZJWSA-N
Silicos It Class	Soluble
Fcsp3	0.7692307692307693
Rotatable Bond Count	3.0
Synonyms	7,8-dihydrovomifoliol
Esol Class	Very soluble
Functional Groups	CC(=O)C=C(C)C, CO
Compound Name	blumenol B
Prediction Hob Swissadme	1.0
Exact Mass	226.157
Formal Charge	0.0
Monoisotopic Mass	226.157
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	226.31
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	-1.5617591999999996
Inchi	InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h7,10,14,16H,5-6,8H2,1-4H3/t10-,13-/m1/s1
Smiles	CC1=CC(=O)CC([C@]1(CC[C@@H](C)O)O)(C)C
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Apocarotenoids

1. Outgoing r'ship FOUND_IN to/from Actinidia Rubricaulis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Amaranthus Caudatus (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Annona Purpurea (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Azolla Pinnata (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Bauhinia Purpurea (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Boronia Pinnata (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Buddleja Madagascariensis (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Cabucala Madagascariensis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Calodendrum Capense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
10. Outgoing r'ship FOUND_IN to/from Cardamine Pinnata (Plant) Rel Props:Reference:
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49. Outgoing r'ship FOUND_IN to/from Croton Steenkampianus (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Croton Sublyratus (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Croton Tiglium (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Croton Tonkinensis (Plant) Rel Props:Reference:
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56. Outgoing r'ship FOUND_IN to/from Croton Zehntneri (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Croton Zeylanicum (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Cyathocline Purpurea (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Cydonia Oblonga (Plant) Rel Props:Reference:ISBN:9788172362133
60. Outgoing r'ship FOUND_IN to/from Dahlia Pinnata (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Dahlstedtia Pinnata (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Dalea Purpurea (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Dbergia Pinnata (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Digitalis Purpurea (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Dioscorea Purpurea (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Echinacea Purpurea (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Elaeocarpus Floribundus (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Elaeocarpus Fuscoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
69. Outgoing r'ship FOUND_IN to/from Elaeocarpus Ganitrus (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Elaeocarpus Mastersii (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Elaeocarpus Munronii (Plant) Rel Props:Reference:
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73. Outgoing r'ship FOUND_IN to/from Elaeocarpus Ratus (Plant) Rel Props:Reference:
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75. Outgoing r'ship FOUND_IN to/from Elaeocarpus Sphaericus (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Elaeocarpus Tuberculatus (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Eschweilera Coriacea (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Euonymus Nanus (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Faradaya Splendida (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Fritillaria Ebeiensis (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Galega Purpurea (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Garcinia Purpurea (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Garuga Pinnata (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Gentiana Purpurea (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Hardwickia Pinnata (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Harungana Madagascariensis (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Hypoestes Purpurea (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Ilex Purpurea (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Ipomoea Purpurea (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Iryanthera Coriacea (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Jacobaea Adonidifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
92. Outgoing r'ship FOUND_IN to/from Jacobaea Argunensis (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Jacobaea Arnautorum (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Jacobaea Cannabifolia (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Jacobaea Maritima (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Jacobaea Nudicaulis (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Jacobaea Persoonii (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Jacobaea Subalpina (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Jacobaea Vulgaris (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Kalanchoe Pinnata (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Kielmeyera Coriacea (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Kigelia Pinnata (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Litsea Coriacea (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Macaranga Bicolor (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Macaranga Conifera (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Macaranga Denticulata (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Macaranga Indica (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Macaranga Peltata (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Macaranga Roxburghi (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Macaranga Sinensis (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Macaranga Tanarius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
112. Outgoing r'ship FOUND_IN to/from Macaranga Triloba (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Mallotus Tanarius (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Meconopsis Aculeata (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Meconopsis Horridula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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118. Outgoing r'ship FOUND_IN to/from Meconopsis Paniculata (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Meconopsis Punicea (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Meconopsis Wallichii (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Munronia Pinnata (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Neonauclea Purpurea (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Oxalis Purpurea (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Oxera Splendida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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127. Outgoing r'ship FOUND_IN to/from Piptanthus Nanus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
128. Outgoing r'ship FOUND_IN to/from Piptanthus Nepalensis (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Pongamia Pinnata (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Quamoclit Pinnata (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Raphanus Caudatus (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Ravenala Madagascariensis (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Rhamnus Purpurea (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Roscoea Purpurea (Plant) Rel Props:Reference:
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136. Outgoing r'ship FOUND_IN to/from Salacia Madagascariensis (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Samadera Madagascariensis (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Sapondius Pinnata (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Sarcococca Coriacea (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Sarracenia Purpurea (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Schkuhria Pinnata (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Senecio Jacobaea (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Senecio Madagascariensis (Plant) Rel Props:Reference:
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145. Outgoing r'ship FOUND_IN to/from Stevia Alpina (Plant) Rel Props:Reference:
146. Outgoing r'ship FOUND_IN to/from Stevia Aristata (Plant) Rel Props:Reference:
147. Outgoing r'ship FOUND_IN to/from Stevia Berlandieri (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Stevia Chamaedrys (Plant) Rel Props:Reference:
149. Outgoing r'ship FOUND_IN to/from Stevia Connata (Plant) Rel Props:Reference:
150. Outgoing r'ship FOUND_IN to/from Stevia Mercedensis (Plant) Rel Props:Reference:
151. Outgoing r'ship FOUND_IN to/from Stevia Origanoides (Plant) Rel Props:Reference:
152. Outgoing r'ship FOUND_IN to/from Stevia Paniculata (Plant) Rel Props:Reference:
153. Outgoing r'ship FOUND_IN to/from Stevia Polycephala (Plant) Rel Props:Reference:
154. Outgoing r'ship FOUND_IN to/from Stevia Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
155. Outgoing r'ship FOUND_IN to/from Stevia Rebaudiana (Plant) Rel Props:Reference:
156. Outgoing r'ship FOUND_IN to/from Stevia Salicifolia (Plant) Rel Props:Reference:
157. Outgoing r'ship FOUND_IN to/from Stevia Serrata (Plant) Rel Props:Reference:
158. Outgoing r'ship FOUND_IN to/from Swartzia Madagascariensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
159. Outgoing r'ship FOUND_IN to/from Tephorisa Purpurea (Plant) Rel Props:Reference:
160. Outgoing r'ship FOUND_IN to/from Tephrosia Purpurea (Plant) Rel Props:Reference:
161. Outgoing r'ship FOUND_IN to/from Terminalia Coriacea (Plant) Rel Props:Reference:
162. Outgoing r'ship FOUND_IN to/from Ulex Nanus (Plant) Rel Props:Reference:
163. Outgoing r'ship FOUND_IN to/from Vitex Altissima (Plant) Rel Props:Reference:
164. Outgoing r'ship FOUND_IN to/from Vitex Glabrata (Plant) Rel Props:Reference:
165. Outgoing r'ship FOUND_IN to/from Vitex Leucoxylon (Plant) Rel Props:Reference:
166. Outgoing r'ship FOUND_IN to/from Vitex Limonifolia (Plant) Rel Props:Reference:
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168. Outgoing r'ship FOUND_IN to/from Vitex Madiensis (Plant) Rel Props:Reference:
169. Outgoing r'ship FOUND_IN to/from Vitex Megapotamica (Plant) Rel Props:Reference:
170. Outgoing r'ship FOUND_IN to/from Vitex Negundo (Plant) Rel Props:Reference:
171. Outgoing r'ship FOUND_IN to/from Vitex Paniculata (Plant) Rel Props:Reference:
172. Outgoing r'ship FOUND_IN to/from Vitex Peduncularis (Plant) Rel Props:Reference:
173. Outgoing r'ship FOUND_IN to/from Vitex Pinnata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
174. Outgoing r'ship FOUND_IN to/from Vitex Quinata (Plant) Rel Props:Reference:
175. Outgoing r'ship FOUND_IN to/from Vitex Rotundifolia (Plant) Rel Props:Reference:
176. Outgoing r'ship FOUND_IN to/from Vitex Trifolia (Plant) Rel Props:Reference:

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blumenol B

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Phytochemical Properties

Associated Connections 176

Plant Connections 176