CSIR CIMAP AROMA | Compound Details

2,4-Decadienal Details

: IUPAC Name

deca-2,4-dienal

:Chemical Class

Aldehyde

:CAS Registry Number

2363-88-4

:Description

:Fragrance Type

seaweed

Physical and Chemical properties

PUBCHEM ID	16899
Molecular Weight (mg/mol)	152.233
Molecular Formula	C10H16O
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
IUPAC Name	deca-2,4-dienal
Canonical SMILES	CCCCC/C=C/C=C/C=O
PUBCHEM IUPAC INCHIKEY	JZQKTMZYLHNFPL-UHFFFAOYSA-N
Solubility Level	3
Vapour Pressure	-0.759

Absorption and Metabolism information

XLOGP3 AA	3.2
CACTVS TPSA	17.1
BBB Level	1
Absorption Level	0
EXT PPB#Prediction	1
AlogP98	3.21
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Non-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Single-Carcinogen
Rat Male FDA	Non-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Non-Toxic
Rat Oral LD50	2.18372 g/kg_body_weight
Ocular Irritancy	None
Hepatotoxic#Prediction	0
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction	Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards	Severe
Environmental hazards	not classified

About Table Headings

Compound Biological Activity

Serial No.	Cas No	Gene Symbol	Organism	Interaction	Interaction Actions	PubMed Id
1	2363-88-4	AKR1B8	Rattus norvegicus	[AKR1B8 protein co-treated with NADP] affects the reduction of 2,4-decadienal	affects^cotreatment\|affects^reduction	18845131
2	2363-88-4	CYCS		CYCS protein binds to 2,4-decadienal	affects^binding	20070074
3	2363-88-4	CYTB	Paracentrotus lividus	2,4-decadienal results in increased expression of CYTB mRNA	increases^expression	22363721
4	2363-88-4	DNMT1	Paracentrotus lividus	2,4-decadienal results in increased expression of DNMT1 mRNA	increases^expression	22363721
5	2363-88-4	GLUL	Paracentrotus lividus	2,4-decadienal results in increased expression of GLUL mRNA	increases^expression	22363721
6	2363-88-4	HSP60	Paracentrotus lividus	2,4-decadienal results in increased expression of HSP60 mRNA	increases^expression	22363721
7	2363-88-4	IL1B	Homo sapiens	2,4-decadienal results in increased expression of and results in increased secretion of IL1B protein	increases^expression\|increases^secretion	16014734
8	2363-88-4	IL1B	Homo sapiens	Acetylcysteine inhibits the reaction [2,4-decadienal results in increased expression of and results in increased secretion of IL1B protein]	decreases^reaction\|increases^expression\|increases^secretion	16014734
9	2363-88-4	MBLG		MBLG protein binds to 2,4-decadienal	affects^binding	20070074
10	2363-88-4	MYC	Homo sapiens	2,4-decadienal results in decreased expression of MYC mRNA	decreases^expression	12921975
11	2363-88-4	NECTIN1	Paracentrotus lividus	2,4-decadienal results in decreased expression of NECTIN1 mRNA	decreases^expression	22363721
12	2363-88-4	PPP2R2C	Homo sapiens	PPP2R2C gene SNP affects the susceptibility to 2,4-decadienal	affects^response to substance	25622337
13	2363-88-4	SM30A	Paracentrotus lividus	2,4-decadienal results in decreased expression of SM30A mRNA	decreases^expression	22363721
14	2363-88-4	SM50	Paracentrotus lividus	2,4-decadienal results in decreased expression of SM50 mRNA	decreases^expression	22363721
15	2363-88-4	SOX9	Paracentrotus lividus	2,4-decadienal results in decreased expression of SOX9 mRNA	decreases^expression	22363721
16	2363-88-4	TNF	Homo sapiens	2,4-decadienal results in increased expression of and results in increased secretion of TNF protein	increases^expression\|increases^secretion	16014734
17	2363-88-4	TNF	Homo sapiens	Acetylcysteine inhibits the reaction [2,4-decadienal results in increased expression of and results in increased secretion of TNF protein]	decreases^reaction\|increases^expression\|increases^secretion	16014734
18	2363-88-4	TP53	Homo sapiens	2,4-decadienal results in decreased expression of TP53 mRNA	decreases^expression	12921975
19	2363-88-4	UBAP2L	Homo sapiens	UBAP2L gene SNP affects the susceptibility to 2,4-decadienal	affects^response to substance	25622337
20	2363-88-4	YWHAE	Paracentrotus lividus	2,4-decadienal results in increased expression of YWHAE mRNA	increases^expression	22363721