General
Preferred name
SPICULISPORIC ACID
Synonyms
4,5-dicarboxy-4-pentadecanolide ()
P&D ID
PD056274
CAS
469-77-2
Tags
nuisance
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
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
3
Nuisance compounds in cellular assays
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
11
Properties
(calculated by RDKit )
Molecular Weight
328.19
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
12
Ring Count
1
Aromatic Ring Count
0
cLogP
3.38
TPSA
100.9
Fraction CSP3
0.82
Chiral centers
2.0
Largest ring
5.0
QED
0.42
Structural alerts
1
Surfactant
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Source data
