| Drug General Information |
| Drug ID |
D0Z2TG
|
| Former ID |
DNC008868
|
| Drug Name |
PEDUNCULAGIN
|
| Drug Type |
Small molecular drug
|
| Indication |
Discovery agent
|
Investigative |
[1]
|
|---|
| Structure |
|
Download
2D MOL
3D MOL
|
| Formula |
C34H24O22
|
| Canonical SMILES |
C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O<br />)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)<br />O1)O)O)O)O)O)O
|
| InChI |
1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34?/m1/s1
|
| InChIKey |
IYMHVUYNBVWXKH-ZITZVVOASA-N
|
| PubChem Compound ID |
|
| Target and Pathway |
| Target(s) |
Coagulation factor IIa |
Target Info |
Inhibitor |
[1]
|
|---|
| Coagulation factor Xa |
Target Info |
Inhibitor |
[1]
|
| Squalene monooxygenase |
Target Info |
Inhibitor |
[2]
|
|
KEGG Pathway
|
Neuroactive ligand-receptor interaction
|
|
Complement and coagulation cascades
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Regulation of actin cytoskeletonhsa04610:Complement and coagulation cascadessce00100:Steroid biosynthesis
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Sesquiterpenoid and triterpenoid biosynthesis
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Metabolic pathways
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Biosynthesis of secondary metabolites
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Biosynthesis of antibiotics
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NetPath Pathway
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TCR Signaling Pathway
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PANTHER Pathway
|
Blood coagulationP00011:Blood coagulation
|
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Pathway Interaction Database
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Thrombin/protease-activated receptor (PAR) pathway
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Angiopoietin receptor Tie2-mediated signaling
|
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FOXA2 and FOXA3 transcription factor networks
|
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PAR4-mediated thrombin signaling events
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Syndecan-4-mediated signaling events
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PAR1-mediated thrombin signaling eventsintegrin2_pathway:Beta2 integrin cell surface interactions
|
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PathWhiz Pathway
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Vitamin K Metabolism
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CoagulationPW000562:CoagulationPW000050:Steroid Biosynthesis
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Reactome
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Intrinsic Pathway of Fibrin Clot Formation
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Common Pathway of Fibrin Clot Formation
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Gamma-carboxylation of protein precursors
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Transport of gamma-carboxylated protein precursors from the endoplasmic reticulum to the Golgi apparatus
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Removal of aminoterminal propeptides from gamma-carboxylated proteins
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Cell surface interactions at the vascular wall
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Peptide ligand-binding receptors
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Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)
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G alpha (q) signalling events
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Thrombin signalling through proteinase activated receptors (PARs)R-HSA-140834:Extrinsic Pathway of Fibrin Clot Formation
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Removal of aminoterminal propeptides from gamma-carboxylated proteinsR-HSA-191273:Cholesterol biosynthesis
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Activation of gene expression by SREBF (SREBP)
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WikiPathways
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Complement and Coagulation Cascades
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Regulation of Actin Cytoskeleton
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IL1 and megakaryotyces in obesity
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Regulation of Insulin-like Growth Factor (IGF) Transport and Uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)
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PTM: gamma carboxylation, hypusine formation and arylsulfatase activation
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Blood Clotting Cascade
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Gastrin-CREB signalling pathway via PKC and MAPK
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Thrombin signalling through proteinase activated receptors (PARs)
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Platelet Aggregation (Plug Formation)
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GPCR ligand binding
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GPCR downstream signaling
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Formation of Fibrin Clot (Clotting Cascade)
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Cell surface interactions at the vascular wall
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Folate Metabolism
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Vitamin B12 Metabolism
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Selenium Micronutrient NetworkWP558:Complement and Coagulation Cascades
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Human Complement System
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| References |
| REF 1 | J Nat Prod. 1998 Nov;61(11):1356-60.Effects of tannins from Geum japonicum on the catalytic activity of thrombin and factor Xa of blood coagulation cascade. |
|---|
| REF 2 | J Nat Prod. 2001 Aug;64(8):1010-4.Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase. |
|---|
