General
Preferred name
hexadecanal
Synonyms
PALMITALDEHYDE ()
palmitoyl collagenic acid ()
Hexadecanal-d5 ()
P&D ID
PD007037
CAS
629-80-1
63937-25-7
2703602-66-6
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
12
Cayman Chemical Bioactives
9001996
16834
Concise Guide to Pharmacology 2017/18
6627
Concise Guide to Pharmacology 2019/20
6627
Concise Guide to Pharmacology 2021/22
6627
Concise Guide to Pharmacology 2023/24
6627
Drug Repurposing Hub
DrugBank
DB03381
DrugMAP
DMJCHE1
Guide to Pharmacology
6627
MedChem Express Bioactive Compound Library
HY-W004305
ReFrame library
Selleckchem Bioactive Compound Library
hexadecanal
External IDs
47
Properties
(calculated by RDKit )
Molecular Weight
240.25
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
14
Ring Count
0
Aromatic Ring Count
0
cLogP
5.67
TPSA
17.07
Fraction CSP3
0.94
Chiral centers
0.0
Largest ring
0.0
QED
0.28
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
DBI, RHO
Endogenous Metabolite
MOA
sphingosine 1-phosphate receptor substrate
Pathway
Metabolic Enzyme/Protease
Source data