General
Preferred name
Rubiadin
Synonyms
1,3-Dihydroxy-2-Methylanthracene-9,10-Dione ()
P&D ID
PD018091
CAS
117-02-2
Tags
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Cell lines
3
Organisms
0
Compound Sets
3
Cayman Chemical Bioactives
11753
MedChem Express Bioactive Compound Library
HY-N0444
TargetMol Bioactive Compound Library
T4241
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
254.06
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
0
Ring Count
3
Aromatic Ring Count
2
cLogP
2.18
TPSA
74.6
Fraction CSP3
0.07
Chiral centers
0.0
Largest ring
6.0
QED
0.64
Structural alerts
1
quinone_A(370)
[!#6&!#1]=[#6]-1-[#6]=,:[#6]-[#6](=[!#6&!#1])-[#6]=,:[#6]-1
PAINS Family A
Custom attributes
(extracted from source data)
Pathway
Apoptosis
oxidation-reduction
Target
caspase-3
PARP cleavage
Free radical scavengers
MOA
Apoptosis inducer
Source data