General
Preferred name
all-trans-Retinal
Synonyms
Retinaldehyde ()
Vitamin A aldehyde ()
All trans-Retinal ()
all-trans-retinal ()
Retinaldehyde, Vitamin A aldehyde, Retinene ()
all-trans Retinal ()
RETINAL ()
P&D ID
PD017224
CAS
116-31-4
514-85-2
472-86-6
564-87-4
Tags
natural product
drug candidate
available
Drug indication
Discovery agent
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
1
Organisms
0
Compound Sets
12
Cayman Chemical Bioactives
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
Drug Repurposing Hub
DrugMAP
Guide to Pharmacology
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
54
Properties
(calculated by RDKit )
Molecular Weight
284.21
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
1
Aromatic Ring Count
0
cLogP
5.72
TPSA
17.07
Fraction CSP3
0.45
Chiral centers
0.0
Largest ring
6.0
QED
0.36
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Indication
cosmetic
Pathway
Apoptosis
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Retinoid Receptor
Source data
