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3,5,6-trihydroxy-2-(2-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one

3,5,6-trihydroxy-2-(2-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one structure

CAS No:
31769-65-0
Formula:
C21H30O5
Chemical Name:
3,5,6-trihydroxy-2-(2-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
Synonyms:
adhumulone;31769-65-0;3,5,6-trihydroxy-2-(2-methylbutanoyl)-4,6-bis(3-methylbut-2-en-1-yl)cyclohexa-2,4-dien-1-one;3,5,6-trihydroxy-2-(2-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one;SCHEMBL12327984;DTXSID60953705;CHEBI:143242;142628-21-5;475-36-5

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Description

Adhumulone is a cyclic ketone.

3,5,6-trihydroxy-2-(2-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one Basic Attributes

Molecular Weight：

362.5 g/mol

Exact Mass：

362.20932405 g/mol

Characteristics

PSA：

94.8 Å²

Drug Information

MeSH Entry Terms：

adhumulone

Computed Properties

Molecular Weight:362.5
XLogP3:4.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:362.20932405
Monoisotopic Mass:362.20932405
Topological Polar Surface Area:94.8
Heavy Atom Count:26
Complexity:713
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: pyrophosphate formula; copper sulphide; formula of aluminium hydroxide; density of cyclooctene; nitrate formula; difenidol

Guide of 3,5,6-trihydroxy-2-(2-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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