General
Preferred name
Apocarotenal
Synonyms
β-?Apo-?8'-?carotenal ()
P&D ID
PD098354
CAS
12676-20-9
1107-26-2
Tags
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
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
416.31
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
9
Ring Count
1
Aromatic Ring Count
0
cLogP
8.72
TPSA
17.07
Fraction CSP3
0.37
Chiral centers
0.0
Largest ring
6.0
QED
0.21
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Cytochrome P450
Vitamin
Pathway
Metabolic Enzyme/Protease
Source data
