CSIR CIMAP AROMA | Compound Details

P-Cresol Details

: IUPAC Name

4-methylphenol

:Chemical Class

:CAS Registry Number

106-44-5

:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID	2879
Molecular Weight (g/mol)	108.138
Molecular Formula	C7H8O
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
IUPAC Name	4-methylphenol
Canonical SMILES	Cc1ccc(O)cc1
PUBCHEM IUPAC INCHIKEY	IWDCLRJOBJJRNH-UHFFFAOYSA-N
Solubility Level	4
Vapour Pressure	-0.929

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA	20.2
BBB Level	1
Absorption Level	0
EXT PPB#Prediction	1
AlogP98	2.074
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Non-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Multi-Carcinogen
Rat Male FDA	Multi-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Toxic
Rat Oral LD50	1.49231 g/kg_body_weight
Ocular Irritancy	Severe
Hepatotoxic#Prediction	1
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction	Non-Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards	Mild
Environmental hazards	not classified

About Table Headings

Compound Biological Activity

Serial No.	Cas No	Gene Symbol	Organism	Interaction	Interaction Actions	PubMed Id
1	106-44-5	ALB	Homo sapiens	4-cresol binds to ALB protein	affects^binding	11334365
2	106-44-5	BECN1	Homo sapiens	4-cresol results in increased expression of BECN1 protein	increases^expression	25668154
3	106-44-5	BECN1	Rattus norvegicus	4-cresol results in increased expression of BECN1	increases^expression	25668154
4	106-44-5	CASP3	Homo sapiens	4-cresol results in increased activity of CASP3 protein	increases^activity	25668154
5	106-44-5	CDH2	Rattus norvegicus	4-cresol inhibits the reaction [CTNND1 protein binds to CDH2 protein]	affects^binding\|decreases^reaction	23466501
6	106-44-5	CDH2	Rattus norvegicus	Go 6976 inhibits the reaction [4-cresol inhibits the reaction [CTNND1 protein binds to CDH2 protein]]	affects^binding\|decreases^reaction	23466501
7	106-44-5	CX3CL1	Homo sapiens	4-cresol inhibits the reaction [IL1B protein results in increased expression of CX3CL1 protein]	decreases^reaction\|increases^expression	16954166
8	106-44-5	DBH	Bos taurus	4-cresol results in decreased activity of DBH protein	decreases^activity	2306476
9	106-44-5	F11R	Homo sapiens	4-cresol results in decreased expression of F11R protein	decreases^expression	16954166
10	106-44-5	ICAM1	Homo sapiens	4-cresol inhibits the reaction [IL1B protein results in increased expression of ICAM1 mRNA]	decreases^reaction\|increases^expression	12427124
11	106-44-5	ICAM1	Homo sapiens	4-cresol inhibits the reaction [IL1B protein results in increased expression of ICAM1 protein]	decreases^reaction\|increases^expression	12427124
12	106-44-5	ICAM1	Homo sapiens	4-cresol inhibits the reaction [TNF protein results in increased expression of ICAM1 mRNA]	decreases^reaction\|increases^expression	12427124
13	106-44-5	ICAM1	Homo sapiens	4-cresol inhibits the reaction [TNF protein results in increased expression of ICAM1 protein]	decreases^reaction\|increases^expression	12427124
14	106-44-5	IL1B	Homo sapiens	4-cresol inhibits the reaction [IL1B protein results in increased expression of VCAM1 mRNA]	decreases^reaction\|increases^expression	12427124
15	106-44-5	IL1B	Homo sapiens	4-cresol inhibits the reaction [IL1B protein results in increased expression of VCAM1 protein]	decreases^reaction\|increases^expression	12427124
16	106-44-5	MPO		4-cresol binds to MPO protein	affects^binding	8132563
17	106-44-5	PRKCA	Rattus norvegicus	4-cresol results in increased phosphorylation of and results in increased activity of PRKCA protein	increases^activity\|increases^phosphorylation	23466501
18	106-44-5	PRKCA	Rattus norvegicus	PRKCA protein results in increased susceptibility to 4-cresol	increases^response to substance	22813906
19	106-44-5	PRKCA		1,2-bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester inhibits the reaction [4-cresol results in increased activity of PRKCA protein]	decreases^reaction\|increases^activity	23466501
20	106-44-5	PTGS1	Oryctolagus cuniculus	4-cresol results in decreased activity of PTGS1 protein	decreases^activity	15664436
21	106-44-5	SQSTM1	Homo sapiens	4-cresol results in increased expression of SQSTM1 protein	increases^expression	25668154
22	106-44-5	TNF	Homo sapiens	4-cresol inhibits the reaction [TNF protein results in increased expression of VCAM1 mRNA]	decreases^reaction\|increases^expression	12427124
23	106-44-5	TNF	Homo sapiens	4-cresol inhibits the reaction [TNF protein results in increased expression of VCAM1 protein]	decreases^reaction\|increases^expression	12427124
24	106-44-5	ALB	Homo sapiens	4-cresol binds to ALB protein	affects^binding	11334365
25	106-44-5	BECN1	Homo sapiens	4-cresol results in increased expression of BECN1 protein	increases^expression	25668154
26	106-44-5	BECN1	Rattus norvegicus	4-cresol results in increased expression of BECN1	increases^expression	25668154
27	106-44-5	CASP3	Homo sapiens	4-cresol results in increased activity of CASP3 protein	increases^activity	25668154
28	106-44-5	CDH2	Rattus norvegicus	4-cresol inhibits the reaction [CTNND1 protein binds to CDH2 protein]	affects^binding\|decreases^reaction	23466501
29	106-44-5	CDH2	Rattus norvegicus	Go 6976 inhibits the reaction [4-cresol inhibits the reaction [CTNND1 protein binds to CDH2 protein]]	affects^binding\|decreases^reaction	23466501
30	106-44-5	CX3CL1	Homo sapiens	4-cresol inhibits the reaction [IL1B protein results in increased expression of CX3CL1 protein]	decreases^reaction\|increases^expression	16954166
31	106-44-5	DBH	Bos taurus	4-cresol results in decreased activity of DBH protein	decreases^activity	2306476
32	106-44-5	F11R	Homo sapiens	4-cresol results in decreased expression of F11R protein	decreases^expression	16954166
33	106-44-5	ICAM1	Homo sapiens	4-cresol inhibits the reaction [IL1B protein results in increased expression of ICAM1 mRNA]	decreases^reaction\|increases^expression	12427124
34	106-44-5	ICAM1	Homo sapiens	4-cresol inhibits the reaction [IL1B protein results in increased expression of ICAM1 protein]	decreases^reaction\|increases^expression	12427124
35	106-44-5	ICAM1	Homo sapiens	4-cresol inhibits the reaction [TNF protein results in increased expression of ICAM1 mRNA]	decreases^reaction\|increases^expression	12427124
36	106-44-5	ICAM1	Homo sapiens	4-cresol inhibits the reaction [TNF protein results in increased expression of ICAM1 protein]	decreases^reaction\|increases^expression	12427124
37	106-44-5	IL1B	Homo sapiens	4-cresol inhibits the reaction [IL1B protein results in increased expression of VCAM1 mRNA]	decreases^reaction\|increases^expression	12427124
38	106-44-5	IL1B	Homo sapiens	4-cresol inhibits the reaction [IL1B protein results in increased expression of VCAM1 protein]	decreases^reaction\|increases^expression	12427124
39	106-44-5	MPO		4-cresol binds to MPO protein	affects^binding	8132563
40	106-44-5	PRKCA	Rattus norvegicus	4-cresol results in increased phosphorylation of and results in increased activity of PRKCA protein	increases^activity\|increases^phosphorylation	23466501
41	106-44-5	PRKCA	Rattus norvegicus	PRKCA protein results in increased susceptibility to 4-cresol	increases^response to substance	22813906
42	106-44-5	PRKCA		1,2-bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester inhibits the reaction [4-cresol results in increased activity of PRKCA protein]	decreases^reaction\|increases^activity	23466501
43	106-44-5	PTGS1	Oryctolagus cuniculus	4-cresol results in decreased activity of PTGS1 protein	decreases^activity	15664436
44	106-44-5	SQSTM1	Homo sapiens	4-cresol results in increased expression of SQSTM1 protein	increases^expression	25668154
45	106-44-5	TNF	Homo sapiens	4-cresol inhibits the reaction [TNF protein results in increased expression of VCAM1 mRNA]	decreases^reaction\|increases^expression	12427124
46	106-44-5	TNF	Homo sapiens	4-cresol inhibits the reaction [TNF protein results in increased expression of VCAM1 protein]	decreases^reaction\|increases^expression	12427124
47	106-44-5	ALB	Homo sapiens	4-cresol binds to ALB protein	affects^binding	11334365
48	106-44-5	BECN1	Homo sapiens	4-cresol results in increased expression of BECN1 protein	increases^expression	25668154
49	106-44-5	BECN1	Rattus norvegicus	4-cresol results in increased expression of BECN1	increases^expression	25668154
50	106-44-5	CASP3	Homo sapiens	4-cresol results in increased activity of CASP3 protein	increases^activity	25668154
51	106-44-5	CDH2	Rattus norvegicus	4-cresol inhibits the reaction [CTNND1 protein binds to CDH2 protein]	affects^binding\|decreases^reaction	23466501
52	106-44-5	CDH2	Rattus norvegicus	Go 6976 inhibits the reaction [4-cresol inhibits the reaction [CTNND1 protein binds to CDH2 protein]]	affects^binding\|decreases^reaction	23466501
53	106-44-5	CX3CL1	Homo sapiens	4-cresol inhibits the reaction [IL1B protein results in increased expression of CX3CL1 protein]	decreases^reaction\|increases^expression	16954166
54	106-44-5	DBH	Bos taurus	4-cresol results in decreased activity of DBH protein	decreases^activity	2306476
55	106-44-5	F11R	Homo sapiens	4-cresol results in decreased expression of F11R protein	decreases^expression	16954166
56	106-44-5	ICAM1	Homo sapiens	4-cresol inhibits the reaction [IL1B protein results in increased expression of ICAM1 mRNA]	decreases^reaction\|increases^expression	12427124
57	106-44-5	ICAM1	Homo sapiens	4-cresol inhibits the reaction [IL1B protein results in increased expression of ICAM1 protein]	decreases^reaction\|increases^expression	12427124
58	106-44-5	ICAM1	Homo sapiens	4-cresol inhibits the reaction [TNF protein results in increased expression of ICAM1 mRNA]	decreases^reaction\|increases^expression	12427124
59	106-44-5	ICAM1	Homo sapiens	4-cresol inhibits the reaction [TNF protein results in increased expression of ICAM1 protein]	decreases^reaction\|increases^expression	12427124
60	106-44-5	IL1B	Homo sapiens	4-cresol inhibits the reaction [IL1B protein results in increased expression of VCAM1 mRNA]	decreases^reaction\|increases^expression	12427124
61	106-44-5	IL1B	Homo sapiens	4-cresol inhibits the reaction [IL1B protein results in increased expression of VCAM1 protein]	decreases^reaction\|increases^expression	12427124
62	106-44-5	MPO		4-cresol binds to MPO protein	affects^binding	8132563
63	106-44-5	PRKCA	Rattus norvegicus	4-cresol results in increased phosphorylation of and results in increased activity of PRKCA protein	increases^activity\|increases^phosphorylation	23466501
64	106-44-5	PRKCA	Rattus norvegicus	PRKCA protein results in increased susceptibility to 4-cresol	increases^response to substance	22813906
65	106-44-5	PRKCA		1,2-bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester inhibits the reaction [4-cresol results in increased activity of PRKCA protein]	decreases^reaction\|increases^activity	23466501
66	106-44-5	PTGS1	Oryctolagus cuniculus	4-cresol results in decreased activity of PTGS1 protein	decreases^activity	15664436
67	106-44-5	SQSTM1	Homo sapiens	4-cresol results in increased expression of SQSTM1 protein	increases^expression	25668154
68	106-44-5	TNF	Homo sapiens	4-cresol inhibits the reaction [TNF protein results in increased expression of VCAM1 mRNA]	decreases^reaction\|increases^expression	12427124
69	106-44-5	TNF	Homo sapiens	4-cresol inhibits the reaction [TNF protein results in increased expression of VCAM1 protein]	decreases^reaction\|increases^expression	12427124

Serial No.	Activity Name	Details	References (PubMed)	Other details EPA (U.S)	Clinical Trials (U.S. NIH)
1				106-44-5	P-Cresol

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Scotch spearmint	Mukta	Mentha X gracilis Mukta essential oil

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