General
Preferred name
ILIMAQUINONE
Synonyms
P&D ID
PD018827
CAS
71678-03-0
Tags
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Ilimaquinone is a marine sponge metabolite with antimicrobial, anti-HIV, anti-mitotic, and anti-inflammatory properties. Ilimaquinone significantly enhanced TRAIL-induced apoptosis in HCT 116 cells and sensitized colon cancer cells to TRAIL-induced apoptosis through increased caspase-8, -3 activation, PARP cleavage, and DNA damage. Ilimaquinone also reduced the cell survival proteins Bcl2 and Bcl-xL, while strongly up-regulating death receptor (DR) 4 and DR5 expression.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
10
Organisms
0
Compound Sets
2
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Molecular Weight
358.21
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
0
cLogP
4.67
TPSA
63.6
Fraction CSP3
0.64
Chiral centers
4.0
Largest ring
6.0
QED
0.59
Structural alerts
1
quinone_A(370)
[!#6&!#1]=[#6]1[#6]=,:[#6][#6](=[!#6&!#1])[#6]=,:[#6]1
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Solubility
In vitro:<br/>10 mM in DMSO
Source data
