Drug General Information
Drug ID
D0AZ8C
Former ID
DNC001331
Drug Name
Silymarin
Drug Type
Small molecular drug
Indication Discovery agent Phase 4 [521938]
Structure
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2D MOL

3D MOL

Formula
C25H22O10
Canonical SMILES
COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C<br />(C=C5O4)O)O)O)CO)O
InChI
1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23?,24+,25-/m0/s1
InChIKey
SEBFKMXJBCUCAI-VGHNRKBZSA-N
CAS Number
CAS 22888-70-6
PubChem Compound ID
PubChem Substance ID
SuperDrug ATC ID
A05BA03
SuperDrug CAS ID
cas=022888706
Target and Pathway
Target(s) Arachidonate 5-lipoxygenase Target Info Inhibitor [534984]
BioCyc Pathway Aspirin-triggered lipoxin biosynthesis
Resolvin D biosynthesis
Leukotriene biosynthesis
Lipoxin biosynthesis
Aspirin triggered resolvin D biosynthesis
Aspirin triggered resolvin E biosynthesis
KEGG Pathway Arachidonic acid metabolism
Metabolic pathways
Serotonergic synapse
Ovarian steroidogenesis
Toxoplasmosis
NetPath Pathway IL4 Signaling Pathway
PathWhiz Pathway Arachidonic Acid Metabolism
WikiPathways Vitamin D Receptor Pathway
Arachidonic acid metabolism
Eicosanoid Synthesis
Selenium Micronutrient Network
References
Ref 521938ClinicalTrials.gov (NCT00412763) Efficacy of Silymarin for Acute Hepatitis. U.S. National Institutes of Health.
Ref 534984Anti-inflammatory and anti-arthritic activities of silymarin acting through inhibition of 5-lipoxygenase. Phytomedicine. 2000 Mar;7(1):21-4.

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