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Natural Product (NP) Details

General Information of the NP (ID: NP1021)
Name
Atractylenolide I
Species Origin Atractylenolide I (Atractylodes macrocephala) ...     Click to Show/Hide
Atractylenolide I (Atractylodes macrocephala)
SuperKingdom: Eukaryota
Kingdom: Plantae
Phylum: Tracheophyta
Class: Magnoliopsida
Order: Asterales
Family: Asteraceae
Genus: Atractylodes
Species: A. macrocephala
Disease Renal cell carcinoma [ICD-11: 2C90] Investigative
Structure
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2D MOL

3D MOL

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Formula
C15H18O2
PubChem CID
5321018
Canonical SMILES
CC1=C2C[C@H]3C(=C)CCC[C@@]3(C=C2OC1=O)C
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
CAS Number
73069-13-3
Target and Pathway
Target(s) V-type proton ATPase subunit d 2  Molecule Info 
Cite NPCDR
Visitor Map
Correspondence

X. N. Sun, Y. T. Zhang, Y. Zhou, X. C. Lian, L. L. Yan, T. Pan, T. Jin, H. Xie, Z. M. Liang, W. Q. Qiu, J. X. Wang, Z. R. Li, F. Zhu*, X. B. Sui*. NPCDR: natural product-based drug combination and its disease-specific molecular regulation. Nucleic Acids Research. 50(D1): 1324-1333 (2020). PMID: 34664659

Prof. Feng ZHU  (zhufeng@zju.edu.cn)

College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, China


Prof. Xinbing SUI  (suilab@hznu.edu.cn)

School of Pharmacy and Department of Medical Oncology, the Affiliated Hospital of Hangzhou Normal University, Hangzhou Normal University, Hangzhou, China