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Natural Product (NP) Details

General Information of the NP (ID: NP7424)
Name
Emodin
Synonyms
Emodol; Frangula emodin; Schuttgelb; Rheum emodin; Frangulic acid; Persian Berry Lake
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Species Origin Rumex patientia ...     Click to Show/Hide
Rumex patientia
Kingdom: Viridiplantae
Phylum: Streptophyta
Class: Magnoliopsida
Order: Caryophyllales
Family: Polygonaceae
Genus: Rumex
Species: Rumex patientia
Oplopanax elatus
Kingdom: Viridiplantae
Phylum: Streptophyta
Class: Magnoliopsida
Order: Apiales
Family: Araliaceae
Genus: Oplopanax
Species: Oplopanax elatus
Cassia obtusifolia
Kingdom: Viridiplantae
Phylum: Streptophyta
Class: Magnoliopsida
Order: Fabales
Family: Fabaceae
Genus: Senna
Species: Cassia obtusifolia
Polygonum perfoliatum
Kingdom: Viridiplantae
Phylum: Streptophyta
Class: Magnoliopsida
Order: Caryophyllales
Family: Polygonaceae
Genus: Persicaria
Species: Polygonum perfoliatum
Vismia orientalis Engl.
Kingdom: Viridiplantae
Phylum: Streptophyta
Class: Magnoliopsida
Order: Malpighiales
Family: Hypericaceae
Genus: Vismia
Species: Vismia orientalis Engl.
Disease Zoonotic viral disease [ICD-11: 1D6Y] Investigative [1]
Structure
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2D MOL

3D MOL

    Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product
Formula
C15H10O5
PubChem CID
3220
Canonical SMILES
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O
InChI
1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
InChIKey
RHMXXJGYXNZAPX-UHFFFAOYSA-N
CAS Number
CAS 518-82-1
Herb ID
HBIN025041
ETMC ID
708
SymMap ID
SMIT00049
TCMSP ID
MOL000472
TTD Drug ID
D0I0TB
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP
          Cytarabine      Mantle cell lymphoma     Click to Show/Hide the Molecular Data of This Drug
                 Augmenting Drug Sensitivity     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 Phosphorylation AKT1  Molecule Info 
Pathway MAP
Up-regulation Expression BAX  Molecule Info 
Pathway MAP
Down-regulation Expression BCL-2  Molecule Info 
Pathway MAP
Down-regulation Expression BID  Molecule Info 
Pathway MAP
Up-regulation Cleavage CASP3  Molecule Info 
Pathway MAP
Down-regulation Phosphorylation ERK1  Molecule Info 
Pathway MAP
Down-regulation Phosphorylation ERK2  Molecule Info 
Pathway MAP
Down-regulation Phosphorylation mTOR  Molecule Info 
Pathway MAP
Down-regulation Phosphorylation S6K1  Molecule Info 
Pathway MAP
                    In-vitro Model HL-60 CVCL_0002 Adult acute myeloid leukemia Homo sapiens
ARAC-8C CVCL_GZ09 T acute lymphoblastic leukemia Homo sapiens
Jurkat CVCL_0065 T acute lymphoblastic leukemia Homo sapiens
MOLT-4 CVCL_0013 Adult T acute lymphoblastic leukemia Homo sapiens
CA46 CVCL_1101 Burkitt lymphoma Homo sapiens
                    In-vivo Model Around 1.5*107 HL-60/H3 cells were subcutaneously injected into the right flank of BALB/C-nude mice.
                    Experimental
                    Result(s)
Emodin significantly enhanced chemosensitivity of AML cells to Ara-C, inhibited leukemic cell growth, and improved survival in the mouse xenograft model of AML. Dual targeting of Akt and ERK signaling pathways might contribute to the anti-leukemia effects on AML cells in vitro and in vivo.
          Gemcitabine      Solid tumour/cancer     Click to Show/Hide the Molecular Data of This Drug
                 Augmenting Drug Sensitivity     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [3]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation
Down-regulation Expression p105  Molecule Info 
Pathway MAP
Down-regulation Expression XIAP  Molecule Info 
Pathway MAP
                    In-vitro Model SW1990 CVCL_1723 Pancreatic adenocarcinoma Homo sapiens
                    Experimental
                    Result(s)
Emodin enhances the antitumor effect of gemcitabine in SW1990 pancreatic cancer in vitro and in vivo, which may be via the downregulation of NF-kappaB expression, thus inhibiting the expression of XIAP.
References
Reference 1 Naturally Occurring Anthraquinones as Potential Inhibitors of SARS-CoV-2 Main Protease: A Molecular Docking Study. May 7, 2020
Reference 2 Emodin and Its Combination with Cytarabine Induce Apoptosis in Resistant Acute Myeloid Leukemia Cells in Vitro and in Vivo. Cell Physiol Biochem. 2018;48(5):2061-2073.
Reference 3 Enhanced antitumor efficacy by the combination of emodin and gemcitabine against human pancreatic cancer cells via downregulation of the expression of XIAP in vitro and in vivo. Int J Oncol. 2011 Nov;39(5):1123-31.
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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  (hzzju@hznu.edu.cn)

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