General
Preferred name
hexadecanal
Synonyms
palmitoyl collagenic acid ()
PALMITALDEHYDE ()
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()] ]]
Description
(extracted from source data)
DESCRIPTION Hexadecanal (Palmitaldehyde) , a volatile long-chain aliphatic aldehyde, is emitted from human feces, skin, and breath. The receptor for hexadecanal(OR37B) is highly conserved across mammals. Hexadecanal may exert its effects by modulating functional connectivity between the brain substrates of social appraisal and the brain substrates of aggressive execution. Also, Hexadecanal is confirmed to be highly deterrent to the ant Lasius niger. Hexadecanal is promising for the research of startle responses and aggression[1][2][3]
PRICE 29
DESCRIPTION Hexadecanal (Palmitaldehyde) is a free fatty aldehyde found in animals.
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