General
Preferred name
STERIGMATOCYSTIN
Synonyms
Sterigmatocystine ()
Sterigmatocystin-13C18 ()
P&D ID
PD011851
CAS
10048-13-2
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 ]]
Cell lines
4
Organisms
1
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
324.06
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
5
Aromatic Ring Count
3
cLogP
3.01
TPSA
78.13
Fraction CSP3
0.17
Chiral centers
2.0
Largest ring
6.0
QED
0.69
QED
0.69
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Apoptosis
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
Target
antibiotic
Bacterial
DNA/RNA Synthesis
Endogenous Metabolite
Source data
