General
Preferred name
LAWSONE
Synonyms
Hennotannic acid, 2-hydroxy-1,4-naphthoquinone ()
2-Hydroxynaphthoquinone ()
NSC-8625 ()
P&D ID
PD001335
CAS
83-72-7
Tags
available
natural product
drug candidate
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Cell lines
2
Organisms
1
Compound Sets
4
DrugBank
DB04744
MedChem Express Bioactive Compound Library
HY-N2493
Selleckchem Bioactive Compound Library
lawsone
The Spectrum Collection
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
174.03
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
1
cLogP
1.51
TPSA
54.37
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.65
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
Anti-infection
Apoptosis
Target
Fungal
Source data