Drug Information

Drug General Information
Drug ID
D0A5BH
Former ID
DNC009186
Drug Name
Hydrohalisulfate 1
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526556]
Structure
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2D MOL

3D MOL
Formula
C31H48O3
Canonical SMILES
CC1=CCC2C(CCCC2(C1CC(C(C)CCCC(=CCC3=C(C=CC(=C3)O)O)C)O)<br />C)(C)C
InChI
1S/C31H48O3/c1-21(11-13-24-19-25(32)14-15-27(24)33)9-7-10-23(3)28(34)20-26-22(2)12-16-29-30(4,5)17-8-18-31(26,29)6/h11-12,14-15,19,23,26,28-29,32-34H,7-10,13,16-18,20H2,1-6H3/b21-11+/t23-,26+,28-,29+,31-/m1/s1
InChIKey
JZTPEJICPYCDGH-JWMGXGOZSA-N
PubChem Compound ID
10874329
Target and Pathway
Target(s) Arachidonate 15-lipoxygenase Target Info Inhibitor [526556]
Isocitrate lyase Target Info Inhibitor [528696]
BioCyc Pathway Resolvin D biosynthesis
Lipoxin biosynthesis
KEGG Pathway Arachidonic acid metabolism
Linoleic acid metabolism
Metabolic pathways
Serotonergic synapsemtu00630:Glyoxylate and dicarboxylate metabolism
Metabolic pathways
Biosynthesis of secondary metabolites
Microbial metabolism in diverse environments
Carbon metabolism
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.
Ref 528696Bioorg Med Chem Lett. 2007 May 1;17(9):2483-6. Epub 2007 Feb 13.Sesterterpene sulfates as isocitrate lyase inhibitors from tropical sponge Hippospongia sp.

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