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Atractylenolide III

CAT: 0804-HY-N0203-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N0203-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Atractylenolide III (ICodonolactone) is the main component of Atractylodes rhizome and has the activity of inducing apoptosis in lung cancer cells. Atractylenolide III is an orally active gastroprotective agent[1][2][3].
CAS Number
73030-71-4
Product Name Alternative
ICodonolactone; 8β-Hydroxyasterolide
UNSPSC
12352005
Hazard Statement
H315, H319, H320
Target
Apoptosis
Type
Natural Products
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer; Inflammation/Immunology; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/Atractylenolide-III.html
Concentration
10mM
Purity
99.94
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C1C(C)=C(C[C@@]23[H])[C@@](C[C@@]3(C)CCCC2=C)(O)O1
Molecular Formula
C15H20O3
Molecular Weight
248.32
Precautions
H315, H319, H320
References & Citations
[1]Kang TH, et al. Atractylenolide III, a sesquiterpenoid, induces apoptosis in human lung carcinoma A549 cells via mitochondria-mediated death pathway. Food Chem Toxicol. 2011 Feb;49 (2) :514-9.|[2]Wang KT, et al. Gastroprotective activity of atractylenolide III from Atractylodes ovata on ethanol-induced gastric ulcer in vitro and in vivo. J Pharm Pharmacol. 2010 Mar;62 (3) :381-8.|[3]Kim HK, et al. Toxicity of atractylon and atractylenolide III Identified in Atractylodes ovata rhizome to Dermatophagoides farinae and Dermatophagoides pteronyssinus. J Agric Food Chem. 2007 Jul 25;55 (15) :6027-31.|[4]Yoou MS, et al. Ameliorative effect of atractylenolide III in the mast cell proliferation induced by TSLP. Food Chem Toxicol. 2017 Aug;106 (Pt A) :78-85. |[5]Zhou Y, et al. Atractylenolide III reduces depressive- and anxiogenic-like behaviors in rat depression models. Neurosci Lett. 2021 Aug 10;759:136050.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Atractylenolide Iii

Atractylenolide III is a natural product found in Atractylodes lancea. It has a role as a metabolite.

CAS Number73030-71-4
PubChem CID155948
IUPAC Name(4aS,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
Molecular FormulaC15H20O3
Molecular Weight248.32
XLogP2.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity476
SMILES
CC1=C2C[C@H]3C(=C)CCC[C@@]3(C[C@@]2(OC1=O)O)C
InChI
InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1
InChIKey
FBMORZZOJSDNRQ-GLQYFDAESA-N
Chemical Structure
2D Structure
2D structure of Atractylenolide Iii
CAS: 73030-71-4
CID: 155948
Formula: C15H20O3
MW: 248.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.32
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass248.14124450
Monoisotopic Mass248.14124450
Topological Polar Surface Area46.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity476
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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