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  3. Effects Info
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Phytochemical Details
01. General Information
Name Atractylenolide-III
PubChem CID 155948
Molecular Weight 248.32g/mol
Synonyms

8 beta-hydroasterolide, atractylenolide III, codonolactone

Formula C₁₅H₂₀O₃
SMILES CC1=C2CC3C(=C)CCCC3(CC2(OC1=O)O)C
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
CAS Number 73030-71-4
ChEMBL ID CHEMBL486961
ChEBI ID CHEBI:69958
KEGG ID C17887
Toxicity Organism Test Type Route(Dose)
rat LD50 intraperitoneal(165 mg/kg)
mouse LD50 intraperitoneal(254 mg/kg)
rat LD50 oral(322 mg/kg)
Structure 2D-img
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2D MOL 3D MOL
02. Source Information of Phytochemical
Atractylodes macrocephala Warm
Chineses Pinyin BaiZhu
Use Part Root
Habitat AnHui, ZheJiang, JiangXi
Flavor Sweet; Bitter
Meridian Tropism Spleen; Stomach
Species
>Kingdom: Viridiplantae
 -->Phylum: Streptophyta
  -->Class: Equisetopsida
   -->Order: Asterales
    -->Family: Asteraceae
     -->Genus: Atractylodes
      -->Species: Atractylodes macrocephala
03. Combinatorial Therapeutic Effect(s)
Synergistic Effect
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Drug(s) whose efficacy can be enhanced by this phytochemical
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Combination Pair ID: 245
Pair Name Atractylenolide-III, Docetaxel
Partner Name Docetaxel
Disease Info [ICD-11: 2B72] Gastric cancer Investigative
Biological Phenomena Induction-->Apoptosis
Gene Regulation Down-regulation Expression FGFR1 hsa2260
Down-regulation Expression FGFR2 hsa2263
Down-regulation Expression FGFR4 hsa2264
In Vitro Model AGS Gastric adenocarcinoma Homo sapiens (Human) CVCL_0139
SGC-7901 Human papillomavirus-related cervical adenocarcinoma Homo sapiens (Human) CVCL_0520
Result ATL and docetaxel treatment performed the synergistic effects on the inhibition of growth and induction of apoptosis in gastric cancer cells, and the underlying mechanism was mediated, at least partially, through the inhibition of FGFR1, -2, and -4.
04. Reference
No. Title Href
1 Atractylenolide III Enhances the Anti-Neoplastic Efficacy of Docetaxel in Gastric Cancer Cell by Inhibiting Fibroblast Growth Factor Receptors 1, -2, and -4 Expression. J Environ Pathol Toxicol Oncol. 2019;38(3):217-227. doi: 10.1615/JEnvironPatholToxicolOncol.2019029196. Click
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