(4R,5S)-4-hydroxy-3,4,5-trimethyl-5,6,7,8-tetrahydronaphtho[2,3-b]furan-9(4H)-one

PubChem CID: 642921

Connections displayed (default: 10).

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Compound Synonyms	Cacalone, (4R,5S)-4-hydroxy-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-9-one, (4R,5S)-4-hydroxy-3,4,5-trimethyl-5,6,7,8-tetrahydronaphtho[2,3-b]furan-9(4H)-one, 26294-92-8, CHEMBL450368, SCHEMBL8673788, InChI=1/C15H18O3/c1-8-5-4-6-10-11(8)15(3,17)12-9(2)7-18-14(12)13(10)16/h7-8,17H,4-6H2,1-3H3/t8-,15+/m0/s, naphtho[2,3-b]furan-9(4H)-one, 5,6,7,8-tetrahydro-4-hydroxy-3,4,5-trimethyl-, (4R,5S)-
Topological Polar Surface Area	50.4
Hydrogen Bond Donor Count	1.0
Heavy Atom Count	18.0
Isotope Atom Count	0.0
Molecular Complexity	425.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	2.0
Iupac Name	(4R,5S)-4-hydroxy-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-9-one
Prediction Hob	1.0
Xlogp	2.3
Molecular Formula	C15H18O3
Prediction Swissadme	0.0
Inchi Key	VNNQNPHIASWXBS-VXJOIVPMSA-N
Fcsp3	0.5333333333333333
Logs	-3.962
Rotatable Bond Count	0.0
Logd	3.005
Compound Name	(4R,5S)-4-hydroxy-3,4,5-trimethyl-5,6,7,8-tetrahydronaphtho[2,3-b]furan-9(4H)-one
Prediction Hob Swissadme	0.0
Exact Mass	246.126
Formal Charge	0.0
Monoisotopic Mass	246.126
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	246.3
Covalent Unit Count	1.0
Total Atom Stereocenter Count	2.0
Total Bond Stereocenter Count	0.0
Esol	-3.0468527555555553
Inchi	InChI=1S/C15H18O3/c1-8-5-4-6-10-11(8)15(3,17)12-9(2)7-18-14(12)13(10)16/h7-8,17H,4-6H2,1-3H3/t8-,15+/m0/s1
Smiles	C[C@H]1CCCC2=C1[C@@](C3=C(C2=O)OC=C3C)(C)O
Nring	3.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Artemisia Abrotanum (Plant) Rel Props:Reference:
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9. Outgoing r'ship FOUND_IN to/from Artemisia Argentea (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Artemisia Argyi (Plant) Rel Props:Reference:
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78. Outgoing r'ship FOUND_IN to/from Artemisia Salsoloides (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Artemisia Schimperi (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Artemisia Schmidtiana (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Artemisia Schrenkiana (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Artemisia Scoparia (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Artemisia Sieversiana (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Artemisia Siversiana (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Artemisia Stracheyi (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Artemisia Sylvatica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
87. Outgoing r'ship FOUND_IN to/from Artemisia Taurica (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Artemisia Tournefortiana (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Artemisia Tridentata (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Artemisia Umbelliformis (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Artemisia Urghiana (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Artemisia Vachanica (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Artemisia Vestita (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Artemisia Vulgaris (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Artemisia Wallichiana (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Bidens Cernua (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Breynia Cernua (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Diospyros Sylvatica (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Fagus Sylvatica (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Flourensia Cernua (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
101. Outgoing r'ship FOUND_IN to/from Flourensia Riparia (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Lobaria Pulmonaria (Plant) Rel Props:Reference:
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105. Outgoing r'ship FOUND_IN to/from Nyssa Sylvatica (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Palhinhaea Cernua (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Psacalium Peltatum (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Pulsatilla Cernua (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Saxifraga Cernua (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Stachys Sylvatica (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Stillingia Sylvatica (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Viola Sylvatica (Plant) Rel Props:Reference:

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(4R,5S)-4-hydroxy-3,4,5-trimethyl-5,6,7,8-tetrahydronaphtho[2,3-b]furan-9(4H)-one

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Phytochemical Properties

Associated Connections 112

Plant Connections 112