General
Preferred name
CUMINALDEHYDE
Synonyms
Cuminic aldehyde ()
Cuminal ()
p-Isopropylbenzaldehyde ()
Cuminaldehyde, Cuminic aldehyde, Cuminal ()
4-Isopropylbenzaldehyde ()
P&D ID
PD088171
CAS
122-03-2
Tags
available
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 Cuminaldehyde is the main component of Cuminum cyminum and has multiple biological activities, including anti-inflammatory, anti-cancer, anti-diabetic, anti-injury, anti-neuropathy and antibacterial effects. Cuminaldehyde is an inhibitor of aldose reductase (IC50= 0.00085 mg/mL), ¦Á-glucosidase (IC50=0.5 mg/mL) and lipoxygenase (IC50=1370 ¦ÌM). Cuminaldehyde also inhibits the fibrillation of ¦Á-synuclein and prevents its aggregation. Cuminaldehyde has potential application value in the research of neurodegenerative diseases, cancer, diabetes and neuropathic pain diseases[1][2][3][4][5][6][7].
PRICE 29
DESCRIPTION 4-Isopropylbenzaldehyde is the major component of Cuminum cyminum, a natural aldehyde. It is an ERRγ agonist. (Enamine Bioactive Compounds)
DESCRIPTION Cuminaldehyde (Cuminal) is a natural aldehyde with inhibitory effect on alpha-synuclein fibrillation and cytotoxicity. Cuminaldehyde shows anticancer activity,with a pleasant smell and contributes to the aroma of essential oils. (TargetMol Bioactive Compound Library)
Compound Sets
4
Enamine Bioactive Compounds
EBC-04047
MedChem Express Bioactive Compound Library
HY-Y0790
Selleckchem Bioactive Compound Library
4-isopropylbenzaldehyde
TargetMol Bioactive Compound Library
T7441
External IDs
33
Properties
(calculated by RDKit )
Molecular Weight
148.09
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
2.62
TPSA
17.07
Fraction CSP3
0.3
Chiral centers
0.0
Largest ring
6.0
QED
0.59
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
α-synuclein
¦Á-synuclein
Pathway
Metabolism
Neuronal Signaling
Source data