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Natural Product (NP) Details

General Information of the NP (ID: NP6764)
Name
Beta asarone
Synonyms
beta-Asarone; 5273-86-9; cis-Isoelemicin; cis-Isoasarone; (Z)-Asarone; cis-Asarone; UNII-IGA3MH6IUW; Cis-Asaron; 1,2,4-trimethoxy-5-[(Z)-prop-1-enyl]benzene; IGA3MH6IUW; (Z)-5-Propenyl-1,2,4-trimethoxybenzene; CHEBI:10353; (Z)-1,2,4-Trimethoxy-5-(1-propenyl)benzene; BENZENE, 1,2,4-TRIMETHOXY-5-PROPENYL-, (Z)-; cis-2,4,5-Trimethoxy-1-propenylbenzene; beta-asaron; CCRIS 1592; .beta.-Asarone; EINECS 226-096-6; 2,4,5-Trimethoxypropen-1-ylbenzene; cis-.beta.-Asarone; I(2)-Asarone; BRN 1910605; 1,2,4-Trimethoxy-5-((Z)-1-propenyl)benzene; (Z)-.beta.-Asarone; AI3-36897; Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (Z)-; 3-06-00-06440 (Beilstein Handbook Reference); SCHEMBL528747; CHEMBL477752; CHEBI:68146; CHEBI:78308; cis-2,4,5-trimethoxyphenylpropene; DTXSID601020057; HMS3886B18; BCP23722; HY-N1501; MFCD00009281; s9118; ZINC13424754; AKOS030524038; CCG-266642; CS-W009103; DS-9662; L986; (Z)-1-(2,4,5-Trimethoxyphenyl)-1-propene; 1,2,4-trimethoxy-5-(prop-1-en-1-yl)benzene; C10430; cis-2,4,5-Trimethoxy-1-propenylbenzene, 70%; 1,2,4-Trimethoxy-5-[(1Z)-1-propenyl]benzene; W-105801; 1,2,4-trimethoxy-5-[(1Z)-prop-1-en-1-yl]benzene; beta-Asarone, primary pharmaceutical reference standard; Q27089385; 1,2,4-Trimethoxy-5-((z)-1-propenyl)benzene, ?-asarone; (z)-1 pound not2 pound not4-trimethoxy-5-(1-propenyl)benzene; Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (Z)- (9CI)
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Species Origin Acorus tatarinowii ...     Click to Show/Hide
Acorus tatarinowii
Kingdom: Viridiplantae
Phylum: Streptophyta
Class: Magnoliopsida
Order: Acorales
Family: Acoraceae
Genus: Acorus
Species: Acorus tatarinowii
Disease Stomach cancer [ICD-11: 2B72] Investigative [1]
Structure
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2D MOL

3D MOL

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Formula
C12H16O3
PubChem CID
5281758
Canonical SMILES
CC=CC1=CC(=C(C=C1OC)OC)OC
InChI
1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5-
InChIKey
RKFAZBXYICVSKP-WAYWQWQTSA-N
CAS Number
CAS 5273-86-9
ChEBI ID
CHEBI:10353
Herb ID
HBIN017978
SymMap ID
SMIT00143
TCMSP ID
MOL002124
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP
          Cisplatin      Bladder 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 [1]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation
Down-regulation Expression CYB5R2  Molecule Info 
Pathway MAP
                    In-vitro Model MGC-803 CVCL_5334 Gastric mucinous adenocarcinoma Homo sapiens
SGC-7901 CVCL_0520 Human gastric cancer Homo sapiens
MKN74 CVCL_2791 Gastric tubular adenocarcinoma Homo sapiens
                    Experimental
                    Result(s)
The increase of chemotherapy sensitization by Beta-asarone is associated with the inhibition of tumor glycolysis.
          Temozolomide      Brain 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 ABCB1  Molecule Info 
Pathway MAP
                    In-vitro Model U-251MG CVCL_0021 Astrocytoma Homo sapiens
                    Experimental
                    Result(s)
Beta-asarone could promote the entry of TMZ into U252 cells through the membrane.
References
Reference 1 Beta-Asarone Increases Chemosensitivity by Inhibiting Tumor Glycolysis in Gastric Cancer. Evid Based Complement Alternat Med. 2020 Apr 10;2020:6981520.
Reference 2 Antioxidant and selective anticancer activities of two Euphorbia species in human acute myeloid leukemia. Biomed Pharmacother. 2017 Jun;90:375-385.
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Cite NPCDR
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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