Drug Information

Drug General Information
Drug ID
D0W5DZ
Former ID
DNC009194
Drug Name
CHLOROPUUPEHENONE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526556]
Structure
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2D MOL

3D MOL
Formula
C21H27ClO3
Canonical SMILES
CC1(CCCC2(C1CCC3(C2C=C4C(=CC(=O)C(=C4Cl)O)O3)C)C)C
InChI
1S/C21H27ClO3/c1-19(2)7-5-8-20(3)15(19)6-9-21(4)16(20)10-12-14(25-21)11-13(23)18(24)17(12)22/h10-11,15-16,24H,5-9H2,1-4H3/t15-,16+,20-,21-/m0/s1
InChIKey
IVURSJNKOFPQMR-GQSCTRQFSA-N
PubChem Compound ID
9998777
Target and Pathway
Target(s) Arachidonate 12-lipoxygenase, 12S-type Target Info Inhibitor [526556]
Arachidonate 15-lipoxygenase Target Info Inhibitor [526556]
BioCyc Pathway Lipoxin biosynthesisPWY66-397:Resolvin D biosynthesis
Lipoxin biosynthesis
KEGG Pathway Arachidonic acid metabolism
Metabolic pathways
Serotonergic synapse
Inflammatory mediator regulation of TRP channelshsa00590:Arachidonic acid metabolism
Linoleic acid metabolism
NetPath Pathway IL4 Signaling Pathway
PANTHER Pathway Inflammation mediated by chemokine and cytokine signaling pathwayP00031:Inflammation mediated by chemokine and cytokine signaling pathway
Pathway Interaction Database IL4-mediated signaling events
PathWhiz Pathway Arachidonic Acid MetabolismPW000044:Arachidonic Acid Metabolism
WikiPathways Arachidonic acid metabolism
Eicosanoid SynthesisWP2650: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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