Drug Information

Drug General Information
Drug ID
D0B8RN
Former ID
DNC006374
Drug Name
4beta,15-epoxy-miller-9E-enolide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528110]
Structure
Download
2D MOL

3D MOL
Formula
C19H22O7
Canonical SMILES
CC(=C)C(=O)OC1C=C(CCCC2(CO2)C(C3C1C(=C)C(=O)O3)O)C=O
InChI
1S/C19H22O7/c1-10(2)17(22)25-13-7-12(8-20)5-4-6-19(9-24-19)16(21)15-14(13)11(3)18(23)26-15/h7-8,13-16,21H,1,3-6,9H2,2H3/b12-7+/t13-,14-,15+,16-,19-/m1/s1
InChIKey
OGCMEEKAZKEDQP-USTFYIHISA-N
PubChem Compound ID
44398301
Target and Pathway
Target(s) Nuclear factor NF-kappa-B Target Info Inhibitor [528110]
KEGG Pathway MAPK signaling pathway
NF-kappa B signaling pathway
Osteoclast differentiation
Legionellosis
HTLV-I infection
Epstein-Barr virus infection
Pathways in cancer
Viral carcinogenesis
NetPath Pathway IL5 Signaling Pathway
PANTHER Pathway Apoptosis signaling pathway
B cell activation
Inflammation mediated by chemokine and cytokine signaling pathway
T cell activation
Toll receptor signaling pathway
Pathway Interaction Database IL12-mediated signaling events
Alternative NF-kappaB pathway
PathWhiz Pathway Intracellular Signalling Through Adenosine Receptor A2a and Adenosine
Intracellular Signalling Through Adenosine Receptor A2b and Adenosine
Reactome RIP-mediated NFkB activation via ZBP1
DEx/H-box helicases activate type I IFN and inflammatory cytokines production
TAK1 activates NFkB by phosphorylation and activation of IKKs complex
Interleukin-1 processing
IKBKG deficiency causes anhidrotic ectodermal dysplasia with immunodeficiency (EDA-ID) (via TLR)
IkBA variant leads to EDA-ID
Dectin-1 mediated noncanonical NF-kB signaling
NIK-->noncanonical NF-kB signaling
TRAF6 mediated NF-kB activation
WikiPathways Toll-like receptor signaling pathway
DNA Damage Response (only ATM dependent)
SIDS Susceptibility Pathways
Nuclear Receptors Meta-Pathway
Cytosolic sensors of pathogen-associated DNA
TAK1 activates NFkB by phosphorylation and activation of IKKs complex
EBV LMP1 signaling
TNF alpha Signaling Pathway
TSLP Signaling Pathway
Neural Crest Differentiation
TWEAK Signaling Pathway
RANKL/RANK Signaling Pathway
RIG-I/MDA5 mediated induction of IFN-alpha/beta pathways
Interleukin-1 processing
Folate Metabolism
Vitamin B12 Metabolism
Selenium Micronutrient Network
Regulation of toll-like receptor signaling pathway
References
Ref 528110J Med Chem. 2006 Apr 6;49(7):2241-52.Development of a structural model for NF-kappaB inhibition of sesquiterpene lactones using self-organizing neural networks.
Ref 528110J Med Chem. 2006 Apr 6;49(7):2241-52.Development of a structural model for NF-kappaB inhibition of sesquiterpene lactones using self-organizing neural networks.

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