Natural Product (NP) Details
| General Information of the NP (ID: NP6554) | |||||
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| Name |
Pentagalloylglucose
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| Synonyms |
Pentagalloylglucose; 14937-32-7; 1,2,3,4,6-penta-O-galloyl-beta-D-glucopyranose; 1,2,3,4,6-Pentagalloylglucose; Pentagalloyl glucose; 1,2,3,4,6-Penta-O-galloyl-beta-D-glucose; 1,2,3,4,6-Pgg; 1,2,3,4,6-o-Pentagalloylglucose; UNII-3UI3K8W93I; 1,2,3,4,6-Pentakis-O-galloyl-beta-D-glucose; beta-D-Glucopyranose pentakis(3,4,5-trihydroxybenzoate); 3UI3K8W93I; CHEMBL382408; CHEBI:18082; DB03208; 1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose; beta-Penta-O-galloyl-glucose; 1,2,3,4,6-Penta-O-galloyl-b-D-glucose; penta-O-galloyl-beta-d-glucose hydrate; beta-D-pentagalloylglucose; 1,2,3,4,6-Penta-O-galloylglucose; BETA-1,2,3,4,6-PENTA-O-GALLOYL-D-GLUCOPYRANOSE; 1,2,3,4,6-Penta-O-galloyl beta-glucopyranose; [(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate; [(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate; Pentagalloyl-beta-D-glucose; SCHEMBL640108; MEGxp0_001051; ACon1_000145; HY-N0527; BDBM50241052; s9399; AKOS015896803; Beta-1,2,3,4,6-Pentagalloylglucose; ZINC169292785; CCG-270584; CS-5018; NCGC00180839-01; 1,2,3,4,6-Pentagalloyl beta-D-glucose; BS-15460; N2156; 1,2,3,4,6-pentakis-O-galloyl- -D-glucose; C04576; W-2305; Q4545645; 5GG
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| Species Origin | Paeonia suffruticosa ... | Click to Show/Hide | |||
| Paeonia suffruticosa | |||||
| Disease | Rabies virus infection [ICD-11: 1C80] | Investigative | [1] | ||
| Structure |
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Click to Download Mol2D MOL |
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| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | |||||
| Formula |
C41H32O26
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| PubChem CID | |||||
| Canonical SMILES |
C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O
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| InChI |
1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1
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| InChIKey |
QJYNZEYHSMRWBK-NIKIMHBISA-N
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| CAS Number |
CAS 14937-32-7
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| ChEBI ID | |||||
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| TTD Drug ID | |||||
| 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 | ||||||
| 5-fluorouracil | 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
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| Molecule(s)
Regulation |
Down-regulation | Expression | ABCB1 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | BAX | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | BCL-2 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | C1D | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | CASP3 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | CASP9 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | CCNB1 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | CCNE1 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | IFI27 | Molecule Info | |||
| In-vitro Model | Hep-G2 | CVCL_0027 | Hepatocellular carcinoma | Homo sapiens | ||
| Experimental
Result(s) |
The combination significantly downregulated MDR1 and LRP1, suggesting the potential to reverse the resistance to 5-FU. | |||||
| Target and Pathway | ||||
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| Target(s) | Coagulation factor IIa (F2) | Molecule Info | [3] | |
| Coagulation factor Xa (F10) | Molecule Info | [3] | ||
| Squalene monooxygenase (SQLE) | Molecule Info | [4] | ||
| Xanthine dehydrogenase/oxidase (XDH) | Molecule Info | [5] | ||
| BioCyc | Purine nucleotides degradation | Click to Show/Hide | ||
| 2 | Urate biosynthesis/inosine 5'-phosphate degradation | |||
| 3 | Guanosine nucleotides degradation | |||
| 4 | Adenosine nucleotides degradation | |||
| 5 | Retinoate biosynthesis II | |||
| KEGG Pathway | Steroid biosynthesis | Click to Show/Hide | ||
| 2 | Sesquiterpenoid and triterpenoid biosynthesis | |||
| 3 | Metabolic pathways | |||
| 4 | Biosynthesis of secondary metabolites | |||
| 5 | Biosynthesis of antibiotics | |||
| 6 | Complement and coagulation cascades | |||
| 7 | Purine metabolism | |||
| 8 | Caffeine metabolism | |||
| 9 | Drug metabolism - other enzymes | |||
| 10 | Metabolic pathways | |||
| 11 | Peroxisome | |||
| 12 | Neuroactive ligand-receptor interaction | |||
| 13 | Regulation of actin cytoskeleton | |||
| NetPath Pathway | TCR Signaling Pathway | Click to Show/Hide | ||
| Panther Pathway | Blood coagulation | Click to Show/Hide | ||
| 2 | Adenine and hypoxanthine salvage pathway | |||
| 3 | Purine metabolism | |||
| Pathwhiz Pathway | Steroid Biosynthesis | Click to Show/Hide | ||
| 2 | Coagulation | |||
| 3 | Caffeine Metabolism | |||
| 4 | Purine Metabolism | |||
| 5 | Vitamin K Metabolism | |||
| Pathway Interaction Database | Beta2 integrin cell surface interactions | Click to Show/Hide | ||
| 2 | Thrombin/protease-activated receptor (PAR) pathway | |||
| 3 | Angiopoietin receptor Tie2-mediated signaling | |||
| 4 | FOXA2 and FOXA3 transcription factor networks | |||
| 5 | PAR4-mediated thrombin signaling events | |||
| 6 | Syndecan-4-mediated signaling events | |||
| 7 | PAR1-mediated thrombin signaling events | |||
| Reactome | Cholesterol biosynthesis | Click to Show/Hide | ||
| 2 | Activation of gene expression by SREBF (SREBP) | |||
| 3 | Extrinsic Pathway of Fibrin Clot Formation | |||
| 4 | Intrinsic Pathway of Fibrin Clot Formation | |||
| 5 | Common Pathway of Fibrin Clot Formation | |||
| 6 | Gamma-carboxylation of protein precursors | |||
| 7 | Transport of gamma-carboxylated protein precursors from the endoplasmic reticulum to the Golgi apparatus | |||
| 8 | Removal of aminoterminal propeptides from gamma-carboxylated proteins | |||
| 9 | Purine catabolism | |||
| 10 | Cell surface interactions at the vascular wall | |||
| 11 | Peptide ligand-binding receptors | |||
| 12 | Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs) | |||
| 13 | G alpha (q) signalling events | |||
| 14 | Thrombin signalling through proteinase activated receptors (PARs) | |||
| WikiPathways | Complement and Coagulation Cascades | Click to Show/Hide | ||
| 2 | Human Complement System | |||
| 3 | PTM: gamma carboxylation, hypusine formation and arylsulfatase activation | |||
| 4 | Blood Clotting Cascade | |||
| 5 | Formation of Fibrin Clot (Clotting Cascade) | |||
| 6 | Oxidative Stress | |||
| 7 | Effects of Nitric Oxide | |||
| 8 | Metabolism of nucleotides | |||
| 9 | Selenium Micronutrient Network | |||
| 10 | Regulation of Actin Cytoskeleton | |||
| 11 | IL1 and megakaryotyces in obesity | |||
| 12 | Regulation of Insulin-like Growth Factor (IGF) Transport and Uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs) | |||
| 13 | Gastrin-CREB signalling pathway via PKC and MAPK | |||
| 14 | Thrombin signalling through proteinase activated receptors (PARs) | |||
| 15 | Platelet Aggregation (Plug Formation) | |||
| 16 | GPCR ligand binding | |||
| 17 | GPCR downstream signaling | |||
| 18 | Cell surface interactions at the vascular wall | |||
| 19 | Folate Metabolism | |||
| 20 | Vitamin B12 Metabolism | |||
