Magnolialide

PubChem CID: 636954

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Compound Synonyms	Magnolialide, 72145-13-2, (3aS,5aR,6R,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one, DTXSID10348400, 6-Hydroxy-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,8,9b-octahydro-3H-naphtho[1,2-b]furan-2-one, naphtho[1,2-b]furan-2(3H)-one, 3a,4,5,5a,6,7,8,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylene-, (3aS,5aR,6R,9bS)-, rel-(3aR,5aS,6S,9bR)-6-hydroxy-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,8,9b-octahydronaphtho[1,2-b]furan-2(3H)-one, (3aS,5aR,6R,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo(g)(1)benzofuran-2-one, 6-Hydroxy-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,8,9b-octahydro-3H-naphtho(1,2-b)furan-2-one, naphtho(1,2-b)furan-2(3H)-one, 3a,4,5,5a,6,7,8,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylene-, (3aS,5aR,6R,9bS)-, rel-(3aR,5aS,6S,9bR)-6-hydroxy-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,8,9b-octahydronaphtho(1,2-b)furan-2(3H)-one, CHEMBL5431296, DTXCID00299472
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CC2C3CCCCC3CCC2C1C
Np Classifier Class	Eudesmane sesquiterpenoids
Deep Smiles	CC=C[C@H]OC=O)C=C)[C@@H]5CC[C@]9[C@@H]CC%13))O))C
Heavy Atom Count	18.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	CC1C(O)OC2C3CCCCC3CCC12
Classyfire Subclass	Terpene lactones
Isotope Atom Count	0.0
Molecular Complexity	462.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Iupac Name	(3aS,5aR,6R,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-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	C15H20O3
Scaffold Graph Node Bond Level	C=C1C(=O)OC2C3=CCCCC3CCC12
Prediction Swissadme	0.0
Inchi Key	STUGAIDUQVESQE-WJNVRWDZSA-N
Silicos It Class	Soluble
Fcsp3	0.6666666666666666
Logs	-3.422
Rotatable Bond Count	0.0
Logd	1.517
Synonyms	magnolialide
Esol Class	Soluble
Functional Groups	C=C1CCOC1=O, CC(C)=C(C)C, CO
Compound Name	Magnolialide
Prediction Hob Swissadme	0.0
Exact Mass	248.141
Formal Charge	0.0
Monoisotopic Mass	248.141
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	248.32
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	-2.3623963999999997
Inchi	InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h10-11,13,16H,2,4-7H2,1,3H3/t10-,11+,13-,15-/m0/s1
Smiles	CC1=C2[C@@H]3[C@@H](CC[C@]2([C@@H](CC1)O)C)C(=C)C(=O)O3
Nring	3.0
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 Aconitum Violaceum (Plant) Rel Props:Reference:
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47. Outgoing r'ship FOUND_IN to/from Euphorbia Barnhartii (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Euphorbia Biglandulosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
49. Outgoing r'ship FOUND_IN to/from Euphorbia Bombaiensis (Plant) Rel Props:Reference:
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56. Outgoing r'ship FOUND_IN to/from Euphorbia Clarkeana (Plant) Rel Props:Reference:
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58. Outgoing r'ship FOUND_IN to/from Euphorbia Cuneata (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Euphorbia Cyathophora (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Euphorbia Decipiens (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Euphorbia Dracunculoides (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Euphorbia Ebracteolata (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Euphorbia Esula (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Euphorbia Ferganensis (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Euphorbia Fischeriana (Plant) Rel Props:Reference:
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68. Outgoing r'ship FOUND_IN to/from Euphorbia Franckiana (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Euphorbia Fusiformis (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Euphorbia Granulata (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Euphorbia Helioscopia (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Euphorbia Heterophylla (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Euphorbia Heyneana (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Euphorbia Hirta (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Euphorbia Hispida (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Euphorbia Humifusa (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Euphorbia Hylonoma (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Euphorbia Hypericifolia (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Euphorbia Hyssopifolia (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Euphorbia Iberica (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Euphorbia Indica (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Euphorbia Ingens (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Euphorbia Jaxartica (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Euphorbia Jolkinii (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Euphorbia Kamerunica (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Euphorbia Kansui (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Euphorbia Lacei (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Euphorbia Lactea (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Euphorbia Laeta (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Euphorbia Lagascae (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Euphorbia Lamprocarpa (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Euphorbia Latazi (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Euphorbia Lathyris (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Euphorbia Leuconeura (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Euphorbia Longan (Plant) Rel Props:Reference:
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132. Outgoing r'ship FOUND_IN to/from Euphorbia Rothiana (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Euphorbia Royleana (Plant) Rel Props:Reference:
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138. Outgoing r'ship FOUND_IN to/from Euphorbia Sieboldiana (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Euphorbia Sikkimensis (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Euphorbia Splendens (Plant) Rel Props:Reference:
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143. Outgoing r'ship FOUND_IN to/from Euphorbia Supina (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Euphorbia Thomsoniana (Plant) Rel Props:Reference:
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152. Outgoing r'ship FOUND_IN to/from Euphorbia Umbellata (Plant) Rel Props:Reference:
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155. Outgoing r'ship FOUND_IN to/from Lespedeza Davidii (Plant) Rel Props:Reference:
156. Outgoing r'ship FOUND_IN to/from Lupinus Albus (Plant) Rel Props:Reference:
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175. Outgoing r'ship FOUND_IN to/from Saussurea Carthamoides (Plant) Rel Props:Reference:
176. Outgoing r'ship FOUND_IN to/from Saussurea Cordifolia (Plant) Rel Props:Reference:
177. Outgoing r'ship FOUND_IN to/from Saussurea Costus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
178. Outgoing r'ship FOUND_IN to/from Saussurea Glaciales (Plant) Rel Props:Reference:
179. Outgoing r'ship FOUND_IN to/from Saussurea Gossypiphora (Plant) Rel Props:Reference:
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183. Outgoing r'ship FOUND_IN to/from Saussurea Laneana (Plant) Rel Props:Reference:
184. Outgoing r'ship FOUND_IN to/from Saussurea Laniceps (Plant) Rel Props:Reference:
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188. Outgoing r'ship FOUND_IN to/from Saussurea Neopulchella (Plant) Rel Props:Reference:
189. Outgoing r'ship FOUND_IN to/from Saussurea Obvallata (Plant) Rel Props:Reference:
190. Outgoing r'ship FOUND_IN to/from Saussurea Pantilingiana (Plant) Rel Props:Reference:
191. Outgoing r'ship FOUND_IN to/from Saussurea Pulchella (Plant) Rel Props:Reference:
192. Outgoing r'ship FOUND_IN to/from Saussurea Roylei (Plant) Rel Props:Reference:
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194. Outgoing r'ship FOUND_IN to/from Saussurea Simpsoniana (Plant) Rel Props:Reference:
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197. Outgoing r'ship FOUND_IN to/from Saussurea Taraxifolia (Plant) Rel Props:Reference:
198. Outgoing r'ship FOUND_IN to/from Saussurea Triangulata (Plant) Rel Props:Reference:
199. Outgoing r'ship FOUND_IN to/from Selaginella Davidii (Plant) Rel Props:Reference:
200. Outgoing r'ship FOUND_IN to/from Solanum Violaceum (Plant) Rel Props:Reference:
201. Outgoing r'ship FOUND_IN to/from Sophora Davidii (Plant) Rel Props:Reference:
202. Outgoing r'ship FOUND_IN to/from Strychnos Aculeata (Plant) Rel Props:Reference:
203. Outgoing r'ship FOUND_IN to/from Strychnos Aenea (Plant) Rel Props:Reference:
204. Outgoing r'ship FOUND_IN to/from Strychnos Afzelii (Plant) Rel Props:Reference:
205. Outgoing r'ship FOUND_IN to/from Strychnos Amazonica (Plant) Rel Props:Reference:
206. Outgoing r'ship FOUND_IN to/from Strychnos Angustiflora (Plant) Rel Props:Reference:
207. Outgoing r'ship FOUND_IN to/from Strychnos Camptoneura (Plant) Rel Props:Reference:
208. Outgoing r'ship FOUND_IN to/from Strychnos Cathayensis (Plant) Rel Props:Reference:
209. Outgoing r'ship FOUND_IN to/from Strychnos Colubrina (Plant) Rel Props:Reference:
210. Outgoing r'ship FOUND_IN to/from Strychnos Decussata (Plant) Rel Props:Reference:
211. Outgoing r'ship FOUND_IN to/from Strychnos Diplotricha (Plant) Rel Props:Reference:
212. Outgoing r'ship FOUND_IN to/from Strychnos Dolichothyrsa (Plant) Rel Props:Reference:
213. Outgoing r'ship FOUND_IN to/from Strychnos Elaeocarpa (Plant) Rel Props:Reference:
214. Outgoing r'ship FOUND_IN to/from Strychnos Erichsonii (Plant) Rel Props:Reference:
215. Outgoing r'ship FOUND_IN to/from Strychnos Fendleri (Plant) Rel Props:Reference:
216. Outgoing r'ship FOUND_IN to/from Strychnos Froesii (Plant) Rel Props:Reference:
217. Outgoing r'ship FOUND_IN to/from Strychnos Gossweileri (Plant) Rel Props:Reference:
218. Outgoing r'ship FOUND_IN to/from Strychnos Henningsii (Plant) Rel Props:Reference:
219. Outgoing r'ship FOUND_IN to/from Strychnos Icaja (Plant) Rel Props:Reference:
220. Outgoing r'ship FOUND_IN to/from Strychnos Ignatii (Plant) Rel Props:Reference:
221. Outgoing r'ship FOUND_IN to/from Strychnos Ledermannii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
222. Outgoing r'ship FOUND_IN to/from Strychnos Ligustrina (Plant) Rel Props:Reference:
223. Outgoing r'ship FOUND_IN to/from Strychnos Malaccensis (Plant) Rel Props:Reference:
224. Outgoing r'ship FOUND_IN to/from Strychnos Minor (Plant) Rel Props:Reference:
225. Outgoing r'ship FOUND_IN to/from Strychnos Nitida (Plant) Rel Props:Reference:
226. Outgoing r'ship FOUND_IN to/from Strychnos Panamensis (Plant) Rel Props:Reference:
227. Outgoing r'ship FOUND_IN to/from Strychnos Potatorum (Plant) Rel Props:Reference:
228. Outgoing r'ship FOUND_IN to/from Strychnos Spinosa (Plant) Rel Props:Reference:
229. Outgoing r'ship FOUND_IN to/from Strychnos Splendens (Plant) Rel Props:Reference:
230. Outgoing r'ship FOUND_IN to/from Strychnos Staudtii (Plant) Rel Props:Reference:
231. Outgoing r'ship FOUND_IN to/from Strychnos Tabascana (Plant) Rel Props:Reference:
232. Outgoing r'ship FOUND_IN to/from Strychnos Tomentosa (Plant) Rel Props:Reference:
233. Outgoing r'ship FOUND_IN to/from Strychnos Tricalysioides (Plant) Rel Props:Reference:
234. Outgoing r'ship FOUND_IN to/from Strychnos Triplinervia (Plant) Rel Props:Reference:
235. Outgoing r'ship FOUND_IN to/from Strychnos Usambarensis (Plant) Rel Props:Reference:
236. Outgoing r'ship FOUND_IN to/from Strychnos Vanprukii (Plant) Rel Props:Reference:
237. Outgoing r'ship FOUND_IN to/from Strychnos Wallichiana (Plant) Rel Props:Reference:
238. Outgoing r'ship FOUND_IN to/from Tanacetum Parthenium (Plant) Rel Props:Reference:ISBN:9780896038776
239. Outgoing r'ship FOUND_IN to/from Tanacetum Vulgare (Plant) Rel Props:Reference:ISBN:9788172363093
240. Outgoing r'ship FOUND_IN to/from Viburnum Acuminatum (Plant) Rel Props:Reference:
241. Outgoing r'ship FOUND_IN to/from Viburnum Awabuki (Plant) Rel Props:Reference:
242. Outgoing r'ship FOUND_IN to/from Viburnum Ayavacense (Plant) Rel Props:Reference:
243. Outgoing r'ship FOUND_IN to/from Viburnum Betulifolium (Plant) Rel Props:Reference:
244. Outgoing r'ship FOUND_IN to/from Viburnum Chingii (Plant) Rel Props:Reference:
245. Outgoing r'ship FOUND_IN to/from Viburnum Colebrookianum (Plant) Rel Props:Reference:
246. Outgoing r'ship FOUND_IN to/from Viburnum Coriaceum (Plant) Rel Props:Reference:
247. Outgoing r'ship FOUND_IN to/from Viburnum Cotinifolium (Plant) Rel Props:Reference:
248. Outgoing r'ship FOUND_IN to/from Viburnum Cylindricum (Plant) Rel Props:Reference:
249. Outgoing r'ship FOUND_IN to/from Viburnum Davidii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
250. Outgoing r'ship FOUND_IN to/from Viburnum Dilatatum (Plant) Rel Props:Reference:
251. Outgoing r'ship FOUND_IN to/from Viburnum Erubescens (Plant) Rel Props:Reference:
252. Outgoing r'ship FOUND_IN to/from Viburnum Foetidum (Plant) Rel Props:Reference:
253. Outgoing r'ship FOUND_IN to/from Viburnum Furcatum (Plant) Rel Props:Reference:
254. Outgoing r'ship FOUND_IN to/from Viburnum Grandiflorum (Plant) Rel Props:Reference:
255. Outgoing r'ship FOUND_IN to/from Viburnum Grandifolium (Plant) Rel Props:Reference:
256. Outgoing r'ship FOUND_IN to/from Viburnum Lantana (Plant) Rel Props:Reference:
257. Outgoing r'ship FOUND_IN to/from Viburnum Luzonicum (Plant) Rel Props:Reference:
258. Outgoing r'ship FOUND_IN to/from Viburnum Nervosum (Plant) Rel Props:Reference:
259. Outgoing r'ship FOUND_IN to/from Viburnum Odoratissimum (Plant) Rel Props:Reference:
260. Outgoing r'ship FOUND_IN to/from Viburnum Opulus (Plant) Rel Props:Reference:
261. Outgoing r'ship FOUND_IN to/from Viburnum Orientale (Plant) Rel Props:Reference:
262. Outgoing r'ship FOUND_IN to/from Viburnum Prunifolium (Plant) Rel Props:Reference:
263. Outgoing r'ship FOUND_IN to/from Viburnum Punctatum (Plant) Rel Props:Reference:
264. Outgoing r'ship FOUND_IN to/from Viburnum Rhytidophyllum (Plant) Rel Props:Reference:
265. Outgoing r'ship FOUND_IN to/from Viburnum Sieboldi (Plant) Rel Props:Reference:
266. Outgoing r'ship FOUND_IN to/from Viburnum Suspensum (Plant) Rel Props:Reference:
267. Outgoing r'ship FOUND_IN to/from Viburnum Urceolatum (Plant) Rel Props:Reference:
268. Outgoing r'ship FOUND_IN to/from Xanthosoma Violaceum (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 268

Plant Connections 268