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Atractylenolide I - Analytical reference, high purity , CAS No.73069-13-3

In stock
Item Number
A304497
Grouped product items
SKU Size
Availability
Price Qty
A304497-10mg
10mg
2
$284.90
A304497-50mg
50mg
2
$865.90
A304497-250mg
250mg
1
$3,894.90

Basic Description

Synonyms HMS3886N08 | Atractylenolide I | Atractylenolide I, >=98% (HPLC) | s8291 | (4aS,8aS)-3,8a-dimethyl-5-methylene-4a,5,6,7,8,8a-hexahydronaphtho[2,3-b]furan-2(4H)-one | SCHEMBL1898423 | 8,9-dehydroasterolide | BDBM50241939 | HY-N0201 | (4aS,8aS)-3,8a-dimethy
Specifications & Purity analytical standard
Biochemical and Physiological Mechanisms Phytochemical from Traditional Chinese Medicine herbal preparations. Atractylenolide I is an anti-inflammatory that is reported to inhibit angiogenesis.
Storage Temp Store at 2-8°C,Protected from light,Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade analytical standard
Product Description

Atractylenolide I is the major sesquiterpenoid of the rhizome of A. macrocephala and shows a wide spectrum of pharmacological activities such as antiinflammatory, digestion promoting, and antioxidant effects.
Atractylenolide I is a phytochemical that may be used to study its anti-inflammatory and anti-angiogenesis activities. Atractylenolide I may be used and studied as a postitive modulator of GABA-induced chloride currents I(GABA) and as an inhibitor of aromatases. Atractylenolide I may be used as a reference material in assays to detect its presence in plant root extracts and biological milieu such as plasma.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Naphthofurans
Subclass Not available
Intermediate Tree Nodes Not available
Direct Parent Naphthofurans
Alternative Parents Butenolides  Enol esters  Enoate esters  Lactones  Oxacyclic compounds  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aliphatic heteropolycyclic compounds
Substituents Naphthofuran - 2-furanone - Dihydrofuran - Enol ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Aliphatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as naphthofurans. These are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.
External Descriptors Not available

Associated Targets(Human)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
K562 (73714 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
U-937 (7138 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HepG2 (196354 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Jurkat (10389 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

PC-12 (7051 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504763600
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504763600
IUPAC Name (4aS,8aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one
INCHI InChI=1S/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h8,12H,1,4-7H2,2-3H3/t12-,15+/m0/s1
InChIKey ZTVSGQPHMUYCRS-SWLSCSKDSA-N
Smiles CC1=C2CC3C(=C)CCCC3(C=C2OC1=O)C
Isomeric SMILES CC1=C2C[C@H]3C(=C)CCC[C@@]3(C=C2OC1=O)C
Molecular Weight 230.3
Reaxy-Rn 2655855
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2655855&ln=

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.

3 results found

Lot Number Certificate Type Date Item
J2115099 Certificate of Analysis Aug 09, 2024 A304497
J2115100 Certificate of Analysis Aug 09, 2024 A304497
J2115135 Certificate of Analysis Aug 09, 2024 A304497

Chemical and Physical Properties

Flash Point(°C) 170℃
Boil Point(°C) 405.0±44.0 °C
Melt Point(°C) 121-123 °C
Molecular Weight 230.300 g/mol
XLogP3 3.000
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 230.131 Da
Monoisotopic Mass 230.131 Da
Topological Polar Surface Area 26.300 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 481.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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