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Natural Product (NP) Details

General Information of the NP (ID: NP5948)
Name
Breviscapine
Synonyms
Breviscapine; Scutellarein 7-beta-D-glucuronide; 116122-36-2; SCHEMBL16519697; 6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid; AK111245; DB-047268; FT-0630536; A819175; 6-[[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-7-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid; 6-[2-(4-hydroxyphenyl)-5,6-bis(oxidanyl)-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid; 6-{[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
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Species Origin Erigeron Breviscapus ...     Click to Show/Hide
Erigeron Breviscapus
Kingdom: Viridiplantae
Phylum: Streptophyta
Class: Magnoliopsida
Order: Asterales
Family: Asteraceae
Genus: Erigeron
Species: Erigeron Breviscapus
Disease Breast cancer [ICD-11: 2C60] Investigative [1]
Structure
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2D MOL

3D MOL

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Formula
C21H18O12
PubChem CID
6426802
Canonical SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O
InChI
1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)
InChIKey
DJSISFGPUUYILV-UHFFFAOYSA-N
Herb ID
HBIN018837
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Adverse Effect can be Decreased by This NP
          Cisplatin      Bladder cancer     Click to Show/Hide the Molecular Data of This Drug
                 Decreasing Adverse Drug Reaction     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
                    In-vivo Model Equal numbers of male and female Kunming mice, weighting 18-22 g were used in this study.
                    Experimental
                    Result(s)
Breviscapine can reduce cisplatin-induced renal toxicity in mice.
Target and Pathway
Target(s) Caspase-3 (CASP3)  Molecule Info  [3]
KEGG Pathway MAPK signaling pathway Click to Show/Hide
2 p53 signaling pathway
3 Apoptosis
4 Natural killer cell mediated cytotoxicity
5 TNF signaling pathway
6 Serotonergic synapse
7 Non-alcoholic fatty liver disease (NAFLD)
8 Alzheimer's disease
9 Parkinson's disease
10 Amyotrophic lateral sclerosis (ALS)
11 Huntington's disease
12 Epithelial cell signaling in Helicobacter pylori infection
13 Pertussis
14 Legionellosis
15 Toxoplasmosis
16 Amoebiasis
17 Tuberculosis
18 Hepatitis B
19 Herpes simplex infection
20 Pathways in cancer
21 Viral carcinogenesis
22 Proteoglycans in cancer
23 MicroRNAs in cancer
24 Colorectal cancer
25 Viral myocarditis
NetPath Pathway TCR Signaling Pathway Click to Show/Hide
2 IL2 Signaling Pathway
3 IL4 Signaling Pathway
Panther Pathway Apoptosis signaling pathway Click to Show/Hide
2 FAS signaling pathway
3 Huntington disease
4 CCKR signaling map ST
Pathway Interaction Database LPA receptor mediated events Click to Show/Hide
2 Calcineurin-regulated NFAT-dependent transcription in lymphocytes
3 FAS (CD95) signaling pathway
4 Role of Calcineurin-dependent NFAT signaling in lymphocytes
5 Posttranslational regulation of adherens junction stability and dissassembly
6 p75(NTR)-mediated signaling
7 HIV-1 Nef: Negative effector of Fas and TNF-alpha
8 Caspase Cascade in Apoptosis
9 Syndecan-2-mediated signaling events
Reactome SMAC binds to IAPs Click to Show/Hide
2 SMAC-mediated dissociation of IAP:caspase complexes
3 Apoptotic cleavage of cellular proteins
4 Degradation of the extracellular matrix
5 NADE modulates death signalling
6 Activation of DNA fragmentation factor
7 Caspase-mediated cleavage of cytoskeletal proteins
WikiPathways DNA Damage Response Click to Show/Hide
2 SIDS Susceptibility Pathways
3 Apoptosis Modulation by HSP70
4 MAPK Signaling Pathway
5 Copper homeostasis
6 FAS pathway and Stress induction of HSP regulation
7 Signaling by Hippo
8 Apoptosis
9 Amyotrophic lateral sclerosis (ALS)
10 Spinal Cord Injury
11 BDNF signaling pathway
12 Integrated Pancreatic Cancer Pathway
13 Oncostatin M Signaling Pathway
14 Parkinsons Disease Pathway
15 Corticotropin-releasing hormone
16 Allograft Rejection
17 AGE/RAGE pathway
18 TNF alpha Signaling Pathway
19 Prostate Cancer
20 Alzheimers Disease
21 TWEAK Signaling Pathway
22 Integrated Breast Cancer Pathway
23 Signalling by NGF
24 Integrated Cancer pathway
25 Regulation of Apoptosis
26 Intrinsic Pathway for Apoptosis
27 Apoptotic execution phase
28 Apoptosis Modulation and Signaling
29 miRNA Regulation of DNA Damage Response
References
Reference 1 Germacrone Inhibits Estrogen Receptor Alpha-Mediated Transcription in MCF-7 Breast Cancer Cells. Phytother Res. 2016 Dec;30(12):2036-2043.
Reference 2 Therapeutic effect and mechanism of breviscapine on cisplatin-induced nephrotoxicity in mice. Asian Pac J Trop Med. 2015 Oct;8(10):873-7.
Reference 3 Detecting Cleaved Caspase-3 in Apoptotic Cells by Flow Cytometry. Cold Spring Harb Protoc. 2016 Nov 1;2016(11).
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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