(3aS,4R,7aR)-4-hydroxy-5-[(2S)-5-hydroxypentan-2-yl]-6-methyl-3-methylidene-3a,4,7,7a-tetrahydro-1-benzofuran-2-one

PubChem CID: 44575246

Connections displayed (default: 10).

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Compound Synonyms	britannilactone, CHEMBL480648
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2.0
Heavy Atom Count	19.0
Isotope Atom Count	0.0
Molecular Complexity	424.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Iupac Name	(3aS,4R,7aR)-4-hydroxy-5-[(2S)-5-hydroxypentan-2-yl]-6-methyl-3-methylidene-3a,4,7,7a-tetrahydro-1-benzofuran-2-one
Prediction Hob	1.0
Xlogp	0.7
Molecular Formula	C15H22O4
Prediction Swissadme	1.0
Inchi Key	ASZIGQFYGXSPCO-RHBIEUIISA-N
Fcsp3	0.6666666666666666
Logs	-1.804
Rotatable Bond Count	4.0
Logd	1.021
Compound Name	(3aS,4R,7aR)-4-hydroxy-5-[(2S)-5-hydroxypentan-2-yl]-6-methyl-3-methylidene-3a,4,7,7a-tetrahydro-1-benzofuran-2-one
Prediction Hob Swissadme	1.0
Exact Mass	266.152
Formal Charge	0.0
Monoisotopic Mass	266.152
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	266.33
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	0.0
Esol	-1.6934893999999998
Inchi	InChI=1S/C15H22O4/c1-8(5-4-6-16)12-9(2)7-11-13(14(12)17)10(3)15(18)19-11/h8,11,13-14,16-17H,3-7H2,1-2H3/t8-,11+,13+,14-/m0/s1
Smiles	CC1=C([C@@H]([C@H]2[C@@H](C1)OC(=O)C2=C)O)[C@@H](C)CCCO
Nring	2.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Achyranthes Japonica (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Agrimonia Japonica (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Agrimonia Pilosa (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Alnus Japonica (Plant) Rel Props:Reference:
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7. Outgoing r'ship FOUND_IN to/from Angelica Japonica (Plant) Rel Props:Reference:
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9. Outgoing r'ship FOUND_IN to/from Artemisia Japonica (Plant) Rel Props:Reference:
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44. Outgoing r'ship FOUND_IN to/from Hylomecon Japonica (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Inula Britannica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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52. Outgoing r'ship FOUND_IN to/from Inula Helenium (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Inula Hupehensis (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Inula Japonica (Plant) Rel Props:Source_db:npass_chem_all
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61. Outgoing r'ship FOUND_IN to/from Inula Salsoloides (Plant) Rel Props:Reference:
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63. Outgoing r'ship FOUND_IN to/from Iris Japonica (Plant) Rel Props:Reference:
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72. Outgoing r'ship FOUND_IN to/from Mentha Japonica (Plant) Rel Props:Reference:
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74. Outgoing r'ship FOUND_IN to/from Micromeria Japonica (Plant) Rel Props:Reference:
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76. Outgoing r'ship FOUND_IN to/from Mosla Japonica (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Murdannia Japonica (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Ophiorrhiza Japonica (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Orixa Japonica (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Osmunda Japonica (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Pieris Japonica (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Plagiochila Acanthophylla (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Prunus Japonica (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Pseudotsuga Japonica (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Pteris Japonica (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Pyrola Japonica (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Ranzania Japonica (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Rhamnus Japonica (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Rohdea Japonica (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Sabia Japonica (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Sagina Japonica (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Salix Japonica (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Saussurea Japonica (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Scopolia Japonica (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Skimmia Japonica (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Sophora Japonica (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Spergula Japonica (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Spiraea Japonica (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Stemona Japonica (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Stephania Japonica (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Swertia Japonica (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Ternstroemia Japonica (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Tilia Japonica (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Torilis Japonica (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Trapa Japonica (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Trixis Inula (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Youngia Japonica (Plant) Rel Props:Reference:

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(3aS,4R,7aR)-4-hydroxy-5-[(2S)-5-hydroxypentan-2-yl]-6-methyl-3-methylidene-3a,4,7,7a-tetrahydro-1-benzofuran-2-one

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Phytochemical Properties

Associated Connections 107

Plant Connections 107