Usnic acid - 10mM in DMSO , CAS No.125-46-2

CAS: 125-46-2 Cat. No.: U421067 Molecular Weight: 344.32 EC Number: 204-740-7 PubChem CID: 5646

2 Citations COA

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Usnic acid - 10mM in DMSO CAS No(125-46-2) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY 10mM in DMSO

Synonyms

1,9bH)-Dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl- | AKOS005613032 | HY-N0656 | Q-100111 | 7-Hydroxy-(S)-usnate | 2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bh)-dione | NSC8517 | Q27105599 | 2,6-Diacetyl-7,9-dihydro

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Citations of This Product References Solution Calculators Reviews

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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Store at Room Temperature. The product can be stored for up to 12 months.

Specifications

Synonyms

1, 9bH)-Dibenzofurandione, 2, 6-diacetyl-7, 9-dihydroxy-8, 9b-dimethyl- | AKOS005613032 | HY-N0656 | Q-100111 | 7-Hydroxy-(S)-usnate | 2, 6-Diacetyl-7, 9-dihydroxy-8, 9b-dimethyldibenzo[b, d]furan-1, 3(2H, 9bh)-dione | NSC8517 | Q27105599 | 2, 6-Diacetyl-7, 9-dihydro

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Antimicrobial, anti-tumor and enzyme inhibiting agent. Lichen metabolite. Induces G0/G1 phase cell cycle arrest. Cell death caused by mitochondrial membrane depolarization and induction of apoptosis. Hepatotoxic in vivo .

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Canonical Smiles	CC1=C(C(=C2C(=C1O)C3(C(=CC(=O)C(C3=O)C(=O)C)O2)C)C(=O)C)O
IUPAC Name	2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione
InChIKey	CUCUKLJLRRAKFN-UHFFFAOYSA-N
INCHI	1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3
Isomeric SMILES	CC1=C(C(=C2C(=C1O)C3(C(=CC(=O)C(C3=O)C(=O)C)O2)C)C(=O)C)O
PubChem CID	5646
Molecular Weight	344.32

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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Acetophenones

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Acetophenones
Intermediate Tree Nodes	Not available
Direct Parent	Acetophenones
Alternative Parents	Coumarans Aryl alkyl ketones Cyclohexenones Beta-diketones Vinylogous esters Vinylogous acids Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Acetophenone - Coumaran - Aryl ketone - Aryl alkyl ketone - Cyclohexenone - 1,3-diketone - 1,3-dicarbonyl compound - Vinylogous ester - Vinylogous acid - Ketone - Cyclic ketone - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as acetophenones. These are organic compounds containing the acetophenone structure.
External Descriptors	benzofurans
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Molecular Weight	344.300 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	344.09 Da
Monoisotopic Mass	344.09 Da
Topological Polar Surface Area	118.000 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	708.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1