General
Preferred name
Rupestonic acid
Synonyms
PECHUELOIC ACID ()
P&D ID
PD166538
CAS
83161-56-2
Tags
natural product
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
2
Compound Sets
1
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
248.14
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
0
cLogP
2.97
TPSA
54.37
Fraction CSP3
0.6
Chiral centers
3.0
Largest ring
7.0
QED
0.76
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Target
Influenza Virus
Source data