General
Preferred name
LAWSONE
Synonyms
Hennotannic acid ()
2-hydroxy-1,4-naphthoquinone ()
Hennotannic acid, 2-hydroxy-1,4-naphthoquinone ()
P&D ID
PD001335
CAS
83-72-7
Tags
available
covalent binder
drug candidate
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Lawsone is an orally active naphthoquinone dye that can be isolated from the leaves of Lawsonia inermis. Lawsone can induce apoptosis. Lawsone has antibacterial, antitumor and antioxidant activities. Lawsone can be used in anti-tumor drug research[1][2][3][4][5].
PRICE 29
DESCRIPTION Lawsone is a naphthoquinone dye isolated from leaves of Lawsonia inermis that shows antimicrobial and antioxidant activity. (Enamine Bioactive Compounds)
DESCRIPTION Lawsone (Hennotannic acid) (2-hydroxy-1,4-naphthoquinone), also known as hennotannic acid, is a red-orange dye present in the leaves of the henna plant (Lawsonia inermis) as well as in the flower of water hyacinth (Eichhornia crassipes). (TargetMol Bioactive Compound Library)
Cell lines
2
Organisms
1
Compound Sets
7
CovalentInDB
CI007065
DrugBank
DB04744
Enamine Bioactive Compounds
EBC-44217
MedChem Express Bioactive Compound Library
HY-N2493
Selleckchem Bioactive Compound Library
lawsone
TargetMol Bioactive Compound Library
T2969
The Spectrum Collection
External IDs
27
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
Microbiology/virology
Anti-infection
Target
Apoptosis
Fungal
Source data