5-hydroxy-3-(hydroxymethyl)-4,6-dimethylcyclohexa-3,5-diene-1,2-dione
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5-hydroxy-3-(hydroxymethyl)-4,6-dimethylcyclohexa-3,5-diene-1,2-dione
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CAS No:
22631-97-6
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Formula:
C9H10O4
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Chemical Name:
5-hydroxy-3-(hydroxymethyl)-4,6-dimethylcyclohexa-3,5-diene-1,2-dione
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Synonyms:
2,6-dimethyl-3-hydroxymethyl-5-hydroxy-1,4-benzoquinone;shanorellin;Shanorellin;22631-97-6;2,6-Dimethyl-3-hydroxymethyl-5-hydroxy-1,4-benzoquinone;2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-;4-hydroxy-6-(hydroxymethyl)-3,5-dimethylcyclohexa-3,5-diene-1,2-dione;DTXSID40945289;CHEBI:156385;p-Benzoquinone, 2-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-;5-hydroxy-3-(hydroxymethyl)-4,6-dimethylcyclohexa-3,5-diene-1,2-dione;2-hydroxy-6-hydroxymethyl-3,5-dimethyl-1,4-benzoquinone;2-Hydroxy-6-(hydroxymethyl)-3,5-dimethylbenzo-1,4-quinone #;2-hydroxy-6-(hydroxymethyl)-3,5-dimethylcyclohexa-2,5-diene-1,4-dione;2-hydroxy-6-hydroxymethyl-3,5-dimethyl-2,5-cyclohexadiene-1,4-dione
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CAS No:
Description
Shanorellin is a member of the class monohydroxy-1,4-benzoquinones that is 1,4-benzoquinone in which the hydrogens at positions 2, 3, 5 and 6 are replaced by hydroxy, methyl, methyl and hydroxymethyl groups, respectively. It is a secondary metabolite synthesized by several fungi of the Ascomycota phylum. It has a role as a fungal metabolite. It is a diol, a beta-hydroxy ketone and a member of monohydroxy-1,4-benzoquinones.
5-hydroxy-3-(hydroxymethyl)-4,6-dimethylcyclohexa-3,5-diene-1,2-dione Basic Attributes
182.17 g/mol
182.05790880 g/mol
Computed Properties
Molecular Weight:182.17
XLogP3:-0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:182.05790880
Monoisotopic Mass:182.05790880
Topological Polar Surface Area:74.6
Heavy Atom Count:13
Complexity:347
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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