Humulone - Moligand™, ≥98% , CAS No.26472-41-3

CAS: 26472-41-3 Cat. No.: H648732 Molecular Weight: 362.46 EC Number: 247-725-0 PubChem CID: 442911
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GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
SCHEMBL144835 | Humulone | NCGC00016682-02 | SCHEMBL13629033 | ((r)-3,5,6-trihydroxy-4,6-bis(3-methyl-2-butenyl)-2-(3-methyl-1oxobutyl)-2,4-cyclohexadien-1-one) | 3,5,6-Trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methyl-2-butenyl)-2,4-cyclohexadien-1-one #
Storage
Protected from light,Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
H648732-1mg
2
$345.90
5mg
H648732-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,039.90
10mg
H648732-10mg
1
$1,399.90
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Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Protected from light,Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

In Vivo

Humulone (10 or 20 mg/kg; IP; single dose) shortens sleep onset and increases the duration of sleep induced by pentobarbital and decreases the spontaneous locomotion in open field at 20 mg/kg. Humulone (10 μmol; applied topically to the dorsal shaved area) pre-treatment significantly inhibited TPA (10 nmol)-induced COX-2 expression in Female ICR mice (6-7 weeks of age) skin. Humulone (1, 10 μmol; applied topical; pre-treatment 30 min) suppresses TPA-induced NF-κB DNA binding. Humulone attenuates TPA-stimulated nuclear translocation of p65 and p50 subunit proteins of NF-κB. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male BALB/cAnNRj mice (9-11 weeks of age)Dosage: 10 or 20 mg/kg Administration: IP; pre-treatment before sodium pentobarbital (35 mg/kg; i.p.) and ethanol (3.5 g/kg) Result: Significantly decreased the latency and prolonged the duration of sleep induced by pentobarbital at 20 mg/kg dose. These effects were not observed at a lower dose of 10 mg/kg. Showed no effect on the onset of sleep induced by ethanol, but significantly increased sleep duration dose-dependently.

Form:Oil

Specifications

Synonyms
SCHEMBL144835 | Humulone | NCGC00016682-02 | SCHEMBL13629033 | ((r)-3, 5, 6-trihydroxy-4, 6-bis(3-methyl-2-butenyl)-2-(3-methyl-1oxobutyl)-2, 4-cyclohexadien-1-one) | 3, 5, 6-Trihydroxy-2-(3-methylbutanoyl)-4, 6-bis(3-methyl-2-butenyl)-2, 4-cyclohexadien-1-one #
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Humulone (α-Lupulic acid), a prenylated phloroglucinol derivative, is a potent cyclooxygenase-2 (COX-2) inhibitor. Humulone acts as a positive modulator of GABAA receptor at low micromolar concentrations. Humulone is an inhibitor of bone resorption. Humul
Storage
Protected from light, Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Purity
≥98%
Names and Identifiers
Canonical SmilesCC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O
IUPAC Name(6R)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
InChIKeyVMSLCPKYRPDHLN-OAQYLSRUSA-N
INCHI1S/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
Isomeric SMILES CC(C)CC(=O)C1=C(C(=C([C@@](C1=O)(CC=C(C)C)O)O)CC=C(C)C)O
Alternate CAS 26472-41-3
PubChem CID 442911
MeSH Entry Terms 3,5,6-trihydroxy-4-isovaleryl-2,6-bis(3-methyl-2-butenyl)-2,4-cyclohexadiene-1-one;alpha bitter acid;humulon;humulone
Molecular Weight 362.46

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Not available
Direct ParentAcyloins
Alternative Parents Vinylogous acids  Tertiary alcohols  Cyclic ketones  Polyols  Enols  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Acyloin - Vinylogous acid - Tertiary alcohol - Cyclic ketone - Ketone - Polyol - Enol - Organic oxide - Hydrocarbon derivative - Alcohol - Aliphatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as acyloins. These are organic compounds containing an alpha hydroxy ketone. Acyloins are formally derived from reductive coupling of carboxylic acyl groups.
External Descriptors Phloroglucinols
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot NumberCertificate TypeDateItem
H2526631Certificate of AnalysisMay 23, 2025 H648732
H2526659Certificate of AnalysisMay 23, 2025 H648732
Chemical and Physical Properties
SolubilityDMSO : 50 mg/mL (137.95 mM; Need ultrasonic)
Molecular Weight362.500 g/mol
XLogP34.200
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass362.209 Da
Monoisotopic Mass362.209 Da
Topological Polar Surface Area94.800 Ų
Heavy Atom Count26
Formal Charge0
Complexity711.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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