AromaDb: A Database of Plant's Aroma Molecules

P-Cresol Details

: IUPAC Name
:Chemical Class
:CAS Registry Number
106-44-5
:Description

:Fragrance Type
tarry-smoky

Physical and Chemical properties

PUBCHEM ID2879
Molecular Weight (mg/mol)108.141
Molecular FormulaC7H8O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
IUPAC Name
Canonical SMILESCc1ccc(O)cc1
PUBCHEM IUPAC INCHIKEYIWDCLRJOBJJRNH-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-0.929

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA20.23
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.074
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD501.49231
Ocular IrritancySevere
Hepatotoxic#Prediction1
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

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

Compound Image


2D Structure

Download




Download Sdf File Download PDB File Download MOL File
View Similar Structures
(External database - ChemAxon)