General
Preferred name
ALOE-EMODIN
Synonyms
3-Hydroxymethylchrysazine ()
Rhabarberone ()
NSC 38628 ()
Aloe emodin ()
NSC 38628, Rhabarberone ()
aloe emodin ()
P&D ID
PD010804
CAS
481-72-1
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Cell lines
7
Organisms
2
Compound Sets
7
AdooQ Bioactive Compound Library
A10057
Cayman Chemical Bioactives
11677
Drug Repurposing Hub
DrugMAP
DMPTY8S
MedChem Express Bioactive Compound Library
HY-N0189
Selleckchem Bioactive Compound Library
Aloe-emodin
TargetMol Bioactive Compound Library
T2843
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
270.05
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
2
cLogP
1.37
TPSA
94.83
Fraction CSP3
0.07
Chiral centers
0.0
Largest ring
6.0
QED
0.62
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
Microbiology&virology
Anti-infection
Apoptosis
Autophagy
PI3K/Akt/mTOR
Target
HSV-1
HSV-2
CASP8
Influenza Virus
MTOR
IFN
MOA
anticancer agent
Source data