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Humulone

Humulone structure

CAS No:
26472-41-3
Formula:
C21H30O5
Chemical Name:
Humulone
Synonyms:
2,4-Cyclohexadien-1-one,3,5,6-trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(3-methyl-1-oxobutyl)-,(6R)-;2,4-Cyclohexadien-1-one,3,5,6-trihydroxy-2-isovaleryl-4,6-bis(3-methyl-2-butenyl)-,(R)-(-)-;2,4-Cyclohexadien-1-one,3,5,6-trihydroxy-4,6-bis(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-,(R)-;2,4-Cyclohexadien-1-one,3,5,6-trihydroxy-4,6-bis(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-,(6R)-;(6R)-3,5,6-Trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(3-methyl-1-oxobutyl)-2,4-cyclohexadien-1-one;Humulone;Humulon;(-)-(R)-Humulone;(-)-Humulone;Humulone α-acid;α-Acid;α-Lupulic acid;(6R)-3,5,6-Trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one;32452-59-8
Categories:
Biochemical Engineering > Chinese Herbs

Description

Humulone is an optically active cyclic ketone consisting of 3,5,6-trihydroxycyclohexa-2,4-dien-1-one bearing two 3-methylbut-2-en-1-yl substituents at positions 4 and 6 as well as a 3-methylbutanoyl group at the 2-position. It has a role as an antibacterial drug, an antioxidant, a cyclooxygenase 2 inhibitor and a metabolite. It is a diketone, a triol, a cyclic ketone, an aromatic ketone and a tertiary alpha-hydroxy ketone.

Humulone Basic Attributes

Molecular Weight：

362.4599

Exact Mass：

362.46

EC Number：

247-725-0

Characteristics

PSA：

94.83000

XLogP3：

5.14

Density：

1.2±0.1 g/cm3

Melting Point：

65-66.5 °C

Boiling Point：

571.4±50.0 °C at 760 mmHg

Flash Point：

313.4±26.6 °C

Refractive Index：

1.558

Storage Conditions：

−20°C

Vapor Pressure：

1.95E-15mmHg at 25°C

Specific rotation：

D20 -212° (1.0 g in 15.5 g 96% alc)

Safety Information

wgk germany：

Drug Information

MeSH Entry Terms：

3,5,6-trihydroxy-4-isovaleryl-2,6-bis(3-methyl-2-butenyl)-2,4-cyclohexadiene-1-one

Computed Properties

Molecular Weight:362.5
XLogP3:4.2
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:711
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Nanjing Paron Technology Co., Ltd Contact Supplier

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Manufactory Supplier of chemicals

HUMULONE 98% high quality

CAS No.: 26472-41-3

Content: 98%

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Shandong zhishang chemical Co.,Ltd Contact Supplier

CN
5 YRS

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Manufactory Supplier of Dichloromethane,Linocaine hydrochloride

HUMULONE 98% colorless liquid LKLX

CAS No.: 26472-41-3

Grade: Industrial Grade

Content: 98%

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[2-[4-Methyl-2-(2-methyl-1-oxopropoxy)phenyl]-2-oxiranyl]methyl 2-methylbutanoate

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Xanthydrol

90-46-0
CAFFEIC ACID, 3-METHYL PHENETHYL ESTER Formula

71835-85-3
Berberine Formula

2086-83-1
Umbelliferone Formula

93-35-6
Fumonisin B1 Structure

116355-83-0
(-)-Loganin Structure

18524-94-2
What is Bilobalide

33570-04-6
What is BERBERINE CHLORIDE

141433-60-5

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Guide of Humulone

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Recommended Suppliers
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Humulone

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