Natural Product (NP) Details
General Information of the NP (ID: NP5145) | |||||
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Name |
Atractylenolide 1
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Synonyms |
Atractylenolide I; 73069-13-3; Atractylenolide-1; Atractylenolide-I; Atractylenolide 1; CHEMBL449520; (4aS,8aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one; Q63396593; 8,9-dehydroasterolide; SCHEMBL1898423; HMS3886N08; HY-N0201; BDBM50241939; MFCD09037395; s8291; ZINC15207341; Atractylenolide I, >=98% (HPLC); AKOS025119313; CCG-266793; CCG-266794; CS-3669; N2541; X1093; C17885; 069A133; Q-100800; 8,12-EPOXYEUDESMA-4(14),7(11),8-TRIEN-12-ONE
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Species Origin | Atractylodes macrocephala ... | Click to Show/Hide | |||
Atractylodes macrocephala | |||||
Disease | Liver injury [ICD-11: NB91] | Investigative | [1] | ||
Structure |
Click to Download Mol2D MOL |
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Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | |||||
Formula |
C15H18O2
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PubChem CID | |||||
Canonical SMILES |
CC1=C2CC3C(=C)CCCC3(C=C2OC1=O)C
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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
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InChIKey |
ZTVSGQPHMUYCRS-SWLSCSKDSA-N
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CAS Number |
CAS 73069-13-3
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Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP | ||||||
Erlotinib | Lung cancer | Click to Show/Hide the Molecular Data of This Drug | ||||
Achieving Therapeutic Synergy | Click to Show/Hide | |||||
Representative Experiment Reporting the Effect of This Combination | [2] | |||||
Detail(s) | Combination Info click to show the detail info of this combination | |||||
Molecule(s)
Regulation |
Down-regulation | Expression | CYB5R2 | Molecule Info |
Pathway MAP
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Down-regulation | Expression | EZH2 | Molecule Info |
Pathway MAP
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In-vitro Model | NCI-H1299 | CVCL_0060 | Lung large cell carcinoma | Homo sapiens | ||
A-549 | CVCL_0023 | Lung adenocarcinoma | Homo sapiens | |||
In-vivo Model | A549 cells, carrying the luciferase reporter gene (1x107 cells), were subcutaneously injectinto the mice. | |||||
Experimental
Result(s) |
Targeting the PDK1- and HOTAIR-mediated downstream molecule EZH2 by the combination of ATL-1 and erlotinib potentially facilitates the development of an additional novel strategy to combat lung cancer. |