Drug Information

Drug General Information
Drug ID
D03NLE
Former ID
DNC009185
Drug Name
IGERNELLIN
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526556]
Structure
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2D MOL

3D MOL
Formula
C25H40O2
Canonical SMILES
CC1=CCCC(C1CCC(=CCCC(CCCC2=COC=C2)CO)C)(C)C
InChI
1S/C25H40O2/c1-20(13-14-24-21(2)9-7-16-25(24,3)4)8-5-10-22(18-26)11-6-12-23-15-17-27-19-23/h8-9,15,17,19,22,24,26H,5-7,10-14,16,18H2,1-4H3/b20-8+
InChIKey
UJVZMYQCMKGVLL-DNTJNYDQSA-N
PubChem Compound ID
9947690
Target and Pathway
Target(s) Arachidonate 15-lipoxygenase Target Info Inhibitor [526556]
BioCyc Pathway Resolvin D biosynthesis
Lipoxin biosynthesis
KEGG Pathway Arachidonic acid metabolism
Linoleic acid metabolism
Metabolic pathways
Serotonergic synapse
NetPath Pathway IL4 Signaling Pathway
PANTHER Pathway Inflammation mediated by chemokine and cytokine signaling pathway
Pathway Interaction Database IL4-mediated signaling events
PathWhiz Pathway Arachidonic Acid Metabolism
WikiPathways Arachidonic acid metabolism
Eicosanoid Synthesis
References
Ref 526556J Nat Prod. 2003 Feb;66(2):230-5.Exploring sponge-derived terpenoids for their potency and selectivity against 12-human, 15-human, and 15-soybean lipoxygenases.
Ref 526556J Nat Prod. 2003 Feb;66(2):230-5.Exploring sponge-derived terpenoids for their potency and selectivity against 12-human, 15-human, and 15-soybean lipoxygenases.

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