6,8-Dihydroxy-3-(hydroxymethyl)isochromen-1-one

PubChem CID: 9990614

Connections displayed (default: 10).

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Compound Synonyms	62209-16-9, 6,8-dihydroxy-3-hydroxymethylisocoumarin, 6,8-dihydroxy-3-(hydroxymethyl)isochromen-1-one, CHEMBL539432, 6,8-Dihydroxy-3-(hydroxymethyl)-1H-2-benzopyran-1-one, SCHEMBL17866981, 1H-2-Benzopyran-1-one, 6,8-dihydroxy-3-(hydroxymethyl)-, DTXSID80433771, CHEBI:198792, 6,8-dihydroxy-3-hydroxymethyl isocou-marin
Topological Polar Surface Area	87.0
Hydrogen Bond Donor Count	3.0
Heavy Atom Count	15.0
Isotope Atom Count	0.0
Molecular Complexity	298.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	6,8-dihydroxy-3-(hydroxymethyl)isochromen-1-one
Prediction Hob	1.0
Xlogp	0.9
Molecular Formula	C10H8O5
Prediction Swissadme	0.0
Inchi Key	BKFBBKNNGTZBPF-UHFFFAOYSA-N
Fcsp3	0.1
Logs	-2.415
Rotatable Bond Count	1.0
Logd	0.143
Compound Name	6,8-Dihydroxy-3-(hydroxymethyl)isochromen-1-one
Prediction Hob Swissadme	0.0
Exact Mass	208.037
Formal Charge	0.0
Monoisotopic Mass	208.037
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	208.17
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Esol	-1.381581133333333
Inchi	InChI=1S/C10H8O5/c11-4-7-2-5-1-6(12)3-8(13)9(5)10(14)15-7/h1-3,11-13H,4H2
Smiles	C1=C2C=C(OC(=O)C2=C(C=C1O)O)CO
Nring	2.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Artemisia Abrotanum (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Artemisia Absinthium (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Artemisia Afra (Plant) Rel Props:Reference:
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8. Outgoing r'ship FOUND_IN to/from Artemisia Arbuscula (Plant) Rel Props:Reference:
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:
11. Outgoing r'ship FOUND_IN to/from Artemisia Assoana (Plant) Rel Props:Reference:
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29. Outgoing r'ship FOUND_IN to/from Artemisia Gilvescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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67. Outgoing r'ship FOUND_IN to/from Artemisia Persica (Plant) Rel Props:Reference:
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83. Outgoing r'ship FOUND_IN to/from Artemisia Stracheyi (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Artemisia Sylvatica (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Artemisia Taurica (Plant) Rel Props:Reference:
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87. Outgoing r'ship FOUND_IN to/from Artemisia Tridentata (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Artemisia Umbelliformis (Plant) Rel Props:Reference:
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90. Outgoing r'ship FOUND_IN to/from Artemisia Vachanica (Plant) Rel Props:Reference:
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97. Outgoing r'ship FOUND_IN to/from Bryophyllum Calicynum (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Bryophyllum Calycinum (Plant) Rel Props:Source_db:npass_chem_all
99. Outgoing r'ship FOUND_IN to/from Bryophyllum Peltatum (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Bryophyllum Pinnatum (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Cheilanthes Albomarginata (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Cheilanthes Bomarginata (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Cheilanthes Farinosa (Plant) Rel Props:Reference:
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107. Outgoing r'ship FOUND_IN to/from Cheilanthes Rufa (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Cheilanthes Swartzii (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Cheilanthes Tenuifolia (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Corydalis Pallida (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Cotyledon Fimbriata (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Daphniphyllum Calycinum (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Datura Alba (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Datura Arborea (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Datura Fastuosa (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Datura Ferox (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Datura Innoxia (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Datura Metel (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Datura Quercifolia (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Datura Stramonium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
121. Outgoing r'ship FOUND_IN to/from Datura Tatula (Plant) Rel Props:Reference:
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127. Outgoing r'ship FOUND_IN to/from Oenanthe Crocata (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Oenanthe Fistulosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
129. Outgoing r'ship FOUND_IN to/from Oenanthe Javanica (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Orostachys Fimbriata (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Picris Conyzoides (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Picris Hieracioides (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Picris Kamtschatica (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Picris Radicata (Plant) Rel Props:Reference:

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6,8-Dihydroxy-3-(hydroxymethyl)isochromen-1-one

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Phytochemical Properties

Associated Connections 134

Plant Connections 134