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Impurities and reference standards

Humulone

Also known as alpha-Humulon, (6R)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one, (6R)-3,5,6-Trihydroxy-2-isovaleryl-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dienone

CAS 26472-41-3Formula C21H30O5Molar mass 362.47 g/molEC 247-725-0
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Humulone chemical structure, C21H30O5, CAS 26472-41-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
26472-41-3
Formula
C21H30O5
Molar mass
362.47 g/mol
EC number
247-725-0
HS code
291440
Category
Impurities and reference standards

What is Humulone?

Plain description, key identifiers and synonyms

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 antioxidant, a metabolite, an antibacterial drug and a cyclooxygenase 2 inhibitor. It is a tertiary alpha-hydroxy ketone, a triol, a cyclic ketone, a diketone and an aromatic ketone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(6R)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
CAS number
26472-41-3 CAS number cross-checkedOther or deprecated CAS: 23510-81-8
EC number
247-725-0
Molecular formula
C21H30O5
InChIKey
VMSLCPKYRPDHLN-OAQYLSRUSA-N
InChI
InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23-24,26H,8,10-11H2,1-6H3/t21-/m1/s1
Canonical SMILES
CC(C)=CCC1=C(O)C(O)(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C1O
Isomeric SMILES
CC(C)CC(=O)C1=C(C(=C([C@@](C1=O)(CC=C(C)C)O)O)CC=C(C)C)O

Synonyms

  • alpha-Humulon
  • (6R)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
  • (6R)-3,5,6-Trihydroxy-2-isovaleryl-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dienone
  • (6R)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-en-1-yl)cyclohexa-2,4-dien-1-one
  • 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)-
  • a-Humulon
  • alpha Bitter acid
  • (6S)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
  • (6R)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclo
  • 3,5,6-trihydroxy-4,6-bis(3-methylbut-2-en-1-yl)-2-(3-methylbutanoyl)cyclohexa-2,4-dien-1-one
  • 4-Cyclohexene-1,3-dione, 5,6-dihydroxy-2,6-bis(3-methyl-2-butenyl)-4-(3-methyl-1-oxobutyl)-
  • 4-Cyclohexene-1,3-dione, 5,6-dihydroxy-4-isovaleryl-2,6-bis(3-methyl-2-butenyl)-
  • Humulon
  • Phloroglucinol Impurity T
  • 2,4-Cyclohexadien-1-one, 3,5,6-trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(3-methyl-1-oxobutyl)-, (6R)-
  • alpha-Bitter acid
  • 1,4,6-Trihydroxy-1,3-bis(2-isopentenyl)-5-isovaleryl-3,5-cyclohexadien-2-on
  • alpha-Lupulic acid
  • (+)-humulone
  • Humulone (R-Humulone)
  • (-)-(R)-Humulone
  • ((r)-3,5,6-trihydroxy-4,6-bis(3-methyl-2-butenyl)-2-(3-methyl-1oxobutyl)-2,4-cyclohexadien-1-one)
  • (R)-3,5,6-trihydroxy-4,6-bis(3-methylbut-2-en-1-yl)-2-(3-methylbutanoyl)cyclohexa-2,4-dien-1-one
  • (R)-3,5,6-Trihydroxy-4,6-bis(3-methylbut-2-en-1-yl)-2-(3-methylbutanoyl)cyclohexa-2,4-dienone
Show all 26 synonyms
  • 3,5,6-Trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methyl-2-butenyl)-2,4-cyclohexadien-1-one #

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
362.47 g/molcalc.
Exact mass
362.2093 Dacalc.
LogP (octanol/water)
4.25calc.
Topological polar surface area
94.83 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
7calc.
Heavy atoms
26calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.52calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1C=CC=CC1

O=C1C=CC=CC1

1 ring, 7 atoms, the Cyclohexadienone ring system.

137 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Humulone suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 3 suppliers
  • Chengdu Alfa Biotechnology Co., Ltd.
    China, Chengdu ManufacturerUnclaimed profile
    HumuloneGrade, purity and minimum order on request
    Price on request
    View
  • ChemFaces
    China, WuhanUnclaimed profile
    HumuloneGrade, purity and minimum order on request
    Price on request
    View
  • Specs
    Netherlands, ZoetermeerUnclaimed profile
    HumuloneGrade, purity and minimum order on request
    Price on request
    View

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

3 suppliers in 2 countries

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Humulone price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antibacterial agent
  • antibacterial drug
  • antiinfective agent
  • antimicrobial agent
  • antimicrobial drug
  • antioxidant
  • cyclooxygenase 2 inhibitor
  • enzyme inhibitor
  • metabolite
  • pharmaceutical

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Humulone is traded under.

HS 2914.40Indicative HS code

Ketone-alcohols and ketone-aldehydes

World exports in 2024
$199M
+2.5% vs 2023, imports $247M
2019 to 2024
Top exporters
  1. China29.5%
  2. Germany14.4%
  3. Netherlands12.7%
Top importers
  1. United States37.2%
  2. Netherlands8.5%
  3. Germany6.4%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Humulone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Humulone, based on the data on this page

What is Humulone?

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.

What is the CAS number of Humulone?

The CAS registry number of Humulone is 26472-41-3. Other or deprecated CAS numbers: 23510-81-8.

What is the molecular formula and weight of Humulone?

The molecular formula of Humulone is C21H30O5 and its molar mass is 362.47 g/mol.

What is Humulone used for?

Known uses and roles of Humulone include antibacterials and antibiotics in pharmaceuticals, antibacterial agent, antibacterial drug, antiinfective agent, antimicrobial agent and 6 more.

Is Humulone hazardous?

No GHS hazard classification for Humulone is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Humulone?

Humulone is usually classified under HS code 291440 (Ketone-alcohols and ketone-aldehydes). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Humulone?

CompoundList lists 3 suppliers of Humulone in China and Netherlands. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Humulone?

Suppliers quote Humulone on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Humulone

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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