General
Preferred name
TECTOQUINONE
Synonyms
2-Methylanthraquinone ()
2-Methyl-Anthraquinone ()
P&D ID
PD158864
CAS
84-54-8
90389-55-2
Tags
available
natural product
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
222.07
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
3
Aromatic Ring Count
2
cLogP
2.77
TPSA
34.14
Fraction CSP3
0.07
Chiral centers
0.0
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)
Pathway
Anti-infection
Target
SARS-CoV
Virus Protease
Source data
