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 |
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| 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
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| 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. | |||||
