n-humulone

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

Also Known As: n-humulone|Humulone|(R)-Humulone|Humulon|n-humulon|alpha-Acid|humulone [M+H]+|3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one|3,5,6-Trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(3-methyl-1-oxobutyl)-2,4-cyclohexadien-1-one|1,4,6-Trihydroxy-1,3-bis(2-isopentenyl)-5-isovaleryl-3,5-cyclohexadien-2-on|3,5,6-Trihydroxy-4-isovaleryl-2,6-bis(3-methyl-2-butenyl)-2,4-cyclohexadiene-1-one|3,4,5-TRIHYDROXY-2,4-BIS(3-METHYLBUT-2-EN-1-YL)-6-(3-METHYLBUTANOYL)CYCLOHEXA-2,5-DIEN-1-ONE|3,5,6-Trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-en-1-yl)cyclohexa-2,4-dien-1-one|3,5,6-Trihydroxy-4-(3-methylbutanoyl)-2,6-bis(3-methylbut-2-en-1-yl)cyclohexa-2,4-dien-1-one

Molecular Formula	C21H30O5
Molecular Weight	362.20932 g/mol
LogP	4.2
Topological Polar Surface Area	94.8 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	362.20932
Monoisotopic Mass	362.20932
Heavy Atoms	26
Complexity	711.0

Chemical Identifiers

CAS Number	469-02-3
SMILES	CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O
InChIKey	VMSLCPKYRPDHLN-UHFFFAOYSA-N