Natural Product (NP) Details

General Information of the NP (ID: NP5891)
Name
Pristimerin
Synonyms
Celastrol-methylether; Pristimerine; GNF-PF-476; UNII-28ZK7PR57S; CHEBI:8416; Celastrol methyl ester; 28ZK7PR57S; MFCD01711331; methyl (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate; (9b,13a,14b,20a)-3-Hydroxy-9,13-dimethyl-2-oxo-24,25,26 -trinoroleana-1(10),3,5,7-tertraen-29-oic acid methyl ester; C30H40O4; methyl (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylate; Spectrum_001558; SpecPlus_000649; Spectrum2_000546; Spectrum3_001651; Spectrum4_001681; Spectrum5_000322; 24-Nor-D:A-friedooleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, methyl ester; SCHEMBL15020; BSPBio_003401; KBioGR_001942; KBioSS_002038; CHEMBL54804; DivK1c_006745; SPECTRUM1504181; SPBio_000591; MEGxp0_000269; DTXSID5044027; ACon0_000836; KBio1_001689; KBio2_002038; KBio2_004606; KBio2_007174; KBio3_002621; HY-N1937; ZINC4097723; BDBM50481947; CCG-38723; s9404; AKOS032960306; CS-6257; SDCCGMLS-0066814.P001; NCGC00178090-01; NCGC00178090-03; B7488; X1210; C08633; Q-100112; Q27108073; (9?,13?,14?,20?)-3-Hydroxy-9,13-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid methyl ester; D:A-Friedo-24-noroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, methyl ester, (20alpha)- (9CI)
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Species Origin Pristimera indica ...     Click to Show/Hide
Pristimera indica
Kingdom: Viridiplantae
Phylum: Streptophyta
Class: Magnoliopsida
Order: Celastrales
Family: Celastraceae
Genus: Pristimera
Species: Pristimera indica
Primula elatior
Kingdom: Viridiplantae
Phylum: Streptophyta
Class: Magnoliopsida
Order: Ericales
Family: Primulaceae
Genus: Primula
Species: Primula elatior
Maytenus canariensis
Kingdom: Viridiplantae
Phylum: Streptophyta
Class: Magnoliopsida
Order: Celastrales
Family: Celastraceae
Genus: Maytenus
Species: Maytenus canariensis
Disease Colorectal cancer [ICD-11: 2B91] Investigative [1]
Structure
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2D MOL

3D MOL

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Formula
C30H40O4
PubChem CID
159516
Canonical SMILES
CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)OC)C)C)C)C)O
InChI
1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1
InChIKey
JFACETXYABVHFD-WXPPGMDDSA-N
CAS Number
CAS 1258-84-0
Herb ID
HBIN040737
SymMap ID
SMIT05556
TCMSP ID
MOL003497
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP
          Gemcitabine      Solid tumour/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 Phosphorylation CHK1  Molecule Info 
Pathway MAP
Down-regulation Expression TP53BP1  Molecule Info 
Pathway MAP
                    In-vitro Model AsPC-1 CVCL_0152 Pancreatic ductal adenocarcinoma Homo sapiens
BxPC-3 CVCL_0186 Pancreatic ductal adenocarcinoma Homo sapiens
PANC-1 CVCL_0480 Pancreatic ductal adenocarcinoma Homo sapiens
                    Experimental
                    Result(s)		 Pristimerin synergizes with gemcitabine through abrogating Chk1/53BP1-mediated DNA repair in pancreatic cancer cells.
Target and Pathway
Target(s) Stress-activated protein kinase JNK1 (JNK1)  Molecule Info  [3]
Stress-activated protein kinase JNK2 (JNK2)  Molecule Info  [3]
KEGG Pathway MAPK signaling pathway Click to Show/Hide
2 ErbB signaling pathway
3 Ras signaling pathway
4 cAMP signaling pathway
5 FoxO signaling pathway
6 Sphingolipid signaling pathway
7 Protein processing in endoplasmic reticulum
8 Wnt signaling pathway
9 Osteoclast differentiation
10 Focal adhesion
11 Toll-like receptor signaling pathway
12 NOD-like receptor signaling pathway
13 RIG-I-like receptor signaling pathway
14 Fc epsilon RI signaling pathway
15 TNF signaling pathway
16 Neurotrophin signaling pathway
17 Retrograde endocannabinoid signaling
18 Dopaminergic synapse
19 Inflammatory mediator regulation of TRP channels
20 Insulin signaling pathway
21 GnRH signaling pathway
22 Progesterone-mediated oocyte maturation
23 Prolactin signaling pathway
24 Adipocytokine signaling pathway
25 Type II diabetes mellitus
26 Non-alcoholic fatty liver disease (NAFLD)
27 Epithelial cell signaling in Helicobacter pylori infection
28 Shigellosis
29 Salmonella infection
30 Pertussis
31 Chagas disease (American trypanosomiasis)
32 Toxoplasmosis
33 Tuberculosis
34 Hepatitis C
35 Hepatitis B
36 Influenza A
37 HTLV-I infection
38 Herpes simplex infection
39 Epstein-Barr virus infection
40 Pathways in cancer
41 Colorectal cancer
42 Pancreatic cancer
43 Choline metabolism in cancer
44 T cell receptor signaling pathway
NetPath Pathway IL5 Signaling Pathway Click to Show/Hide
2 TNFalpha Signaling Pathway
Panther Pathway Alzheimer disease-amyloid secretase pathway Click to Show/Hide
2 Angiogenesis
3 Apoptosis signaling pathway
4 B cell activation
5 FAS signaling pathway
6 Integrin signalling pathway
7 Interferon-gamma signaling pathway
8 Oxidative stress response
9 PDGF signaling pathway
10 Parkinson disease
11 TGF-beta signaling pathway
12 T cell activation
13 Toll receptor signaling pathway
14 Ras Pathway
15 CCKR signaling map ST
16 Huntington disease
Pathwhiz Pathway Intracellular Signalling Through Adenosine Receptor A2a and Adenosine Click to Show/Hide
2 Intracellular Signalling Through Adenosine Receptor A2b and Adenosine
3 Fc Epsilon Receptor I Signaling in Mast Cells
Pathway Interaction Database Fc-epsilon receptor I signaling in mast cells Click to Show/Hide
2 Endothelins
3 BCR signaling pathway
4 RhoA signaling pathway
5 Noncanonical Wnt signaling pathway
6 CD40/CD40L signaling
7 Signaling events mediated by Hepatocyte Growth Factor Receptor (c-Met)
8 Osteopontin-mediated events
9 Reelin signaling pathway
10 TRAIL signaling pathway
11 CDC42 signaling events
12 Signaling events regulated by Ret tyrosine kinase
13 Angiopoietin receptor Tie2-mediated signaling
14 FAS (CD95) signaling pathway
15 IL1-mediated signaling events
16 Role of Calcineurin-dependent NFAT signaling in lymphocytes
17 Glucocorticoid receptor regulatory network
18 IL2-mediated signaling events
19 Rapid glucocorticoid signaling
20 FoxO family signaling
21 Ceramide signaling pathway
22 Regulation of Androgen receptor activity
23 p75(NTR)-mediated signaling
24 ErbB1 downstream signaling
25 ATF-2 transcription factor network
26 ErbB2/ErbB3 signaling events
27 PDGFR-beta signaling pathway
28 JNK signaling in the CD4+ TCR pathway
29 Nephrin/Neph1 signaling in the kidney podocyte
30 HIV-1 Nef: Negative effector of Fas and TNF-alpha
31 Retinoic acid receptors-mediated signaling
32 Signaling events mediated by Stem cell factor receptor (c-Kit)
33 EPO signaling pathway
34 Syndecan-2-mediated signaling events
35 Ephrin B reverse signaling
36 p53 pathway
37 N-cadherin signaling events
38 S1P2 pathway
39 Downstream signaling in na&#xef
40
41 RAC1 signaling pathway
42 Signaling events mediated by focal adhesion kinase
43 Glypican 3 network
44 IL12 signaling mediated by STAT4
45 Regulation of retinoblastoma protein
Reactome NRAGE signals death through JNK Click to Show/Hide
2 NRIF signals cell death from the nucleus
3 Oxidative Stress Induced Senescence
4 FCERI mediated MAPK activation
5 DSCAM interactions
6 JNK (c-Jun kinases) phosphorylation and activation mediated by activated human TAK1
7 Activation of the AP-1 family of transcription factors
8 Recruitment and ATM-mediated phosphorylation of repair and signaling proteins at DNA double strand breaks
WikiPathways Toll-like receptor signaling pathway Click to Show/Hide
2 DNA Damage Response (only ATM dependent)
3 TCR Signaling Pathway
4 ErbB Signaling Pathway
5 Insulin Signaling
6 EGF/EGFR Signaling Pathway
7 MAPK Signaling Pathway
8 TGF beta Signaling Pathway
9 FAS pathway and Stress induction of HSP regulation
10 Signaling of Hepatocyte Growth Factor Receptor
11 Kit receptor signaling pathway
12 Transcriptional activation by NRF2
13 NLR Proteins
14 IL-3 Signaling Pathway
15 Cardiac Hypertrophic Response
16 Nanoparticle-mediated activation of receptor signaling
17 Structural Pathway of Interleukin 1 (IL-1)
18 EBV LMP1 signaling
19 JAK/STAT
20 PDGF Pathway
21 Nanoparticle triggered regulated necrosis
22 BDNF signaling pathway
23 Integrated Pancreatic Cancer Pathway
24 Oncostatin M Signaling Pathway
25 Corticotropin-releasing hormone
26 AGE/RAGE pathway
27 TNF alpha Signaling Pathway
28 B Cell Receptor Signaling Pathway
29 Prostate Cancer
30 TSLP Signaling Pathway
31 TWEAK Signaling Pathway
32 Leptin signaling pathway
33 RANKL/RANK Signaling Pathway
34 Signalling by NGF
35 IL-1 signaling pathway
36 Intrinsic Pathway for Apoptosis
37 DSCAM interactions
38 Apoptosis Modulation and Signaling
39 Type II diabetes mellitus
40 MicroRNAs in cardiomyocyte hypertrophy
41 Physiological and Pathological Hypertrophy of the Heart
42 Regulation of toll-like receptor signaling pathway
43 Osteoclast Signaling
44 TGF Beta Signaling Pathway
45 Wnt Signaling Pathway
46 Wnt Signaling Pathway and Pluripotency
47 ATM Signaling Pathway
References
Reference 1 Pristimerin suppresses colorectal cancer through inhibiting inflammatory responses and Wnt/Beta-catenin signaling. Toxicol Appl Pharmacol. 2020 Jan 1;386:114813.
Reference 2 Pristimerin synergizes with gemcitabine through abrogating Chk1/53BP1-mediated DNA repair in pancreatic cancer cells. Food Chem Toxicol. 2021 Jan;147:111919.
Reference 3 Pristimerin triggers AIF-dependent programmed necrosis in glioma cells via activation of JNK. Cancer Lett. 2016 Apr 28;374(1):136-148.
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