TTD | Drug: D08BPE

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		Download 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 529187	J 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 529187	J 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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Drug Information