Drug Information

Drug General Information
Drug ID
D08BPE
Former ID
DNC013461
Drug Name
(-)-3-O-acetylspectaline
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529187]
Structure
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2D MOL

3D MOL
Formula
C22H41NO3
Canonical SMILES
CC1C(CCC(N1)CCCCCCCCCCCCC(=O)C)OC(=O)C
InChI
1S/C22H41NO3/c1-18(24)14-12-10-8-6-4-5-7-9-11-13-15-21-16-17-22(19(2)23-21)26-20(3)25/h19,21-23H,4-17H2,1-3H3/t19-,21+,22-/m1/s1
InChIKey
LRKWDKCSHJWJST-BAGYTPMASA-N
PubChem Compound ID
10474155
Target and Pathway
Target(s) Prostaglandin G/H synthase 1 Target Info Inhibitor [529187]
BioCyc Pathway C20 prostanoid biosynthesis
KEGG Pathway Arachidonic acid metabolism
Metabolic pathways
Platelet activation
Serotonergic synapse
NetPath Pathway TGF_beta_Receptor Signaling Pathway
PANTHER Pathway Inflammation mediated by chemokine and cytokine signaling pathway
PathWhiz Pathway Arachidonic Acid Metabolism
WikiPathways Prostaglandin Synthesis and Regulation
Arachidonic acid metabolism
Phase 1 - Functionalization of compounds
Eicosanoid Synthesis
Selenium Micronutrient Network
References
Ref 529187J Nat Prod. 2007 Dec;70(12):2026-8. Epub 2007 Nov 30.Lipoperoxidation and cyclooxygenase enzyme inhibitory piperidine alkaloids from Cassia spectabilis green fruits.
Ref 529187J Nat Prod. 2007 Dec;70(12):2026-8. Epub 2007 Nov 30.Lipoperoxidation and cyclooxygenase enzyme inhibitory piperidine alkaloids from Cassia spectabilis green fruits.

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