Home Other Building Blocks Atractylenolide I

Atractylenolide I

CAS No.:
73069-13-3
Catalog Number:
AG00FAFP
Molecular Formula:
C15H18O2
Molecular Weight:
230.3022
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$182
- +
10mg
99%
1 week
United States
$265
- +
25mg
≥98%
1 week
United States
$576
- +
50mg
99%
1 week
United States
$737
- +
Product Description
Catalog Number:
AG00FAFP
Chemical Name:
Atractylenolide I
CAS Number:
73069-13-3
Molecular Formula:
C15H18O2
Molecular Weight:
230.3022
MDL Number:
MFCD09037395
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
InChI Key:
ZTVSGQPHMUYCRS-SWLSCSKDSA-N
SMILES:
C=C1CCC[C@]2([C@H]1CC1=C(C)C(=O)OC1=C2)C
Properties
Complexity:
481  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
230.131g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.307g/mol
Monoisotopic Mass:
230.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Identification and quantification of the major volatile constituents in antidepressant active fraction of xiaoyaosan by gas chromatography-mass spectrometry. Journal of ethnopharmacology 20120507
Sesquiterpenoids from Atractylodes macrocephala act as farnesoid X receptor and progesterone receptor modulators. Bioorganic & medicinal chemistry letters 20120315
Quantitative analysis of atractylenolide I in rat plasma by LC-MS/MS method and its application to pharmacokinetic study. Journal of pharmaceutical and biomedical analysis 20120125
Targeting of the Sonic Hedgehog pathway by atractylenolides promotes chondrogenic differentiation of mesenchymal stem cells. Biological & pharmaceutical bulletin 20120101
Downregulation of matrix metalloproteinase-13 by the root extract of Cyathula officinalis Kuan and its constituents in IL-1β-treated chondrocytes. Planta medica 20110901
Screening anti-inflammatory components from Chinese traditional medicines using a peritoneal macrophage/cell membrane chromatography-offline-GC/MS method. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20091001
[Absorption kinetics of atractylenolide I in intestines of rats]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20090601
Anti-inflammatory components isolated from Atractylodes macrocephala Koidz. Natural product research 20080101
Pro-oxidant and cytotoxic activities of atractylenolide I in human promyeloleukemic HL-60 cells. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20060801
Establishment of the model of white blood cell membrane chromatography and screening of antagonizing TLR4 receptor component from Atractylodes macrocephala Koidz. Science in China. Series C, Life sciences 20060401
Cytotoxic activity of sesquiterpenoids from Atractylodes ovata on leukemia cell lines. Planta medica 20020301
Properties