AromaDb: A Database of Plant's Aroma Molecules

Thymol Details

: IUPAC Name
5-methyl-2-propan-2-ylphenol
:Chemical Class
Alcohol
:CAS Registry Number
89-83-8
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID6989
Molecular Weight (mg/mol)150.218
Molecular FormulaC10H14O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name5-methyl-2-propan-2-ylphenol
Canonical SMILESCc1ccc(C(C)C)c(O)c1
PUBCHEM IUPAC INCHIKEYMGSRCZKZVOBKFT-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-2.364

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA20.2
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.268
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD500.524383 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction1
Effected Human GenesGPT,ELN,ELANE,ACHE,TRPA1,AKR1A1,ALDH9A1,TRPV3,DSPP

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

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

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 89-83-8 NR1I2 Homo sapiens Bromthymol Blue binds to and results in increased activity of NR1I2 protein affects^binding|increases^activity 20869355
2 89-83-8 NR1I2 Homo sapiens Bromthymol Blue binds to and results in increased activity of NR1I2 protein affects^binding|increases^activity 20869355
3 89-83-8 NR1I2 Homo sapiens Bromthymol Blue binds to and results in increased activity of NR1I2 protein affects^binding|increases^activity 20869355
4 89-83-8 NR1I3 Homo sapiens Bromthymol Blue binds to and results in decreased activity of NR1I3 protein alternative form affects^binding|decreases^activity 20869355
5 89-83-8 NR1I3 Homo sapiens Bromthymol Blue binds to and results in decreased activity of NR1I3 protein alternative form affects^binding|decreases^activity 20869355
6 89-83-8 NR1I3 Homo sapiens Bromthymol Blue binds to and results in decreased activity of NR1I3 protein alternative form affects^binding|decreases^activity 20869355
7 89-83-8 BAX Homo sapiens Thymol results in increased expression of BAX protein increases^expression 21640085
8 89-83-8 BAX Homo sapiens Thymol results in increased expression of BAX protein increases^expression 21640085
9 89-83-8 BAX Homo sapiens Thymol results in increased expression of BAX protein increases^expression 21640085
10 89-83-8 BCL2 Homo sapiens Thymol results in decreased expression of BCL2 protein decreases^expression 21640085
11 89-83-8 BCL2 Homo sapiens Thymol results in decreased expression of BCL2 protein decreases^expression 21640085
12 89-83-8 BCL2 Homo sapiens Thymol results in decreased expression of BCL2 protein decreases^expression 21640085
13 89-83-8 BCL2L1 Rattus norvegicus Thymol inhibits the reaction [Isoproterenol results in decreased expression of BCL2L1 mRNA] decreases^expression|decreases^reaction 26996544
14 89-83-8 BCL2L1 Rattus norvegicus Thymol inhibits the reaction [Isoproterenol results in decreased expression of BCL2L1 mRNA] decreases^expression|decreases^reaction 26996544
15 89-83-8 BCL2L1 Rattus norvegicus Thymol inhibits the reaction [Isoproterenol results in decreased expression of BCL2L1 mRNA] decreases^expression|decreases^reaction 26996544
16 89-83-8 BSK Apis mellifera Thymol results in decreased expression of BSK mRNA decreases^expression 22212860
17 89-83-8 BSK Apis mellifera Thymol results in decreased expression of BSK mRNA decreases^expression 22212860
18 89-83-8 BSK Apis mellifera Thymol results in decreased expression of BSK mRNA decreases^expression 22212860
19 89-83-8 CASP3 Homo sapiens Thymol results in increased activity of CASP3 protein increases^activity 21640085
20 89-83-8 CASP3 Homo sapiens Thymol results in increased activity of CASP3 protein increases^activity 21640085
21 89-83-8 CASP3 Homo sapiens Thymol results in increased activity of CASP3 protein increases^activity 21640085
22 89-83-8 CASP8 Homo sapiens Thymol results in increased activity of CASP8 protein increases^activity 21640085
23 89-83-8 CASP8 Homo sapiens Thymol results in increased activity of CASP8 protein increases^activity 21640085
24 89-83-8 CASP8 Homo sapiens Thymol results in increased activity of CASP8 protein increases^activity 21640085
25 89-83-8 CASP8 Rattus norvegicus Thymol inhibits the reaction [Isoproterenol results in increased expression of CASP8 mRNA] decreases^reaction|increases^expression 26996544
26 89-83-8 CASP8 Rattus norvegicus Thymol inhibits the reaction [Isoproterenol results in increased expression of CASP8 mRNA] decreases^reaction|increases^expression 26996544
27 89-83-8 CASP8 Rattus norvegicus Thymol inhibits the reaction [Isoproterenol results in increased expression of CASP8 mRNA] decreases^reaction|increases^expression 26996544
28 89-83-8 CASP9 Homo sapiens Thymol results in increased activity of CASP9 protein increases^activity 21640085
29 89-83-8 CASP9 Homo sapiens Thymol results in increased activity of CASP9 protein increases^activity 21640085
30 89-83-8 CASP9 Homo sapiens Thymol results in increased activity of CASP9 protein increases^activity 21640085
31 89-83-8 CASP9 Rattus norvegicus Thymol inhibits the reaction [Isoproterenol results in increased expression of CASP9 mRNA] decreases^reaction|increases^expression 26996544
32 89-83-8 CASP9 Rattus norvegicus Thymol inhibits the reaction [Isoproterenol results in increased expression of CASP9 mRNA] decreases^reaction|increases^expression 26996544
33 89-83-8 CASP9 Rattus norvegicus Thymol inhibits the reaction [Isoproterenol results in increased expression of CASP9 mRNA] decreases^reaction|increases^expression 26996544
34 89-83-8 CAT Mus musculus Thymol inhibits the reaction [Dietary Fats results in decreased activity of CAT protein] decreases^activity|decreases^reaction 26680107
35 89-83-8 CAT Mus musculus Thymol inhibits the reaction [Dietary Fats results in decreased activity of CAT protein] decreases^activity|decreases^reaction 26680107
36 89-83-8 CAT Mus musculus Thymol inhibits the reaction [Dietary Fats results in decreased activity of CAT protein] decreases^activity|decreases^reaction 26680107
37 89-83-8 CAT Rattus norvegicus Thymol inhibits the reaction [Isoproterenol results in decreased activity of CAT protein] decreases^activity|decreases^reaction 26721194
38 89-83-8 CAT Rattus norvegicus Thymol inhibits the reaction [Isoproterenol results in decreased activity of CAT protein] decreases^activity|decreases^reaction 26721194
39 89-83-8 CAT Rattus norvegicus Thymol inhibits the reaction [Isoproterenol results in decreased activity of CAT protein] decreases^activity|decreases^reaction 26721194
40 89-83-8 CYP306A1 Apis mellifera Thymol results in decreased expression of CYP306A1 mRNA decreases^expression 22212860
41 89-83-8 CYP306A1 Apis mellifera Thymol results in decreased expression of CYP306A1 mRNA decreases^expression 22212860
42 89-83-8 CYP306A1 Apis mellifera Thymol results in decreased expression of CYP306A1 mRNA decreases^expression 22212860
43 89-83-8 CYP6AS14 Apis mellifera Thymol results in increased expression of CYP6AS14 mRNA increases^expression 22212860
44 89-83-8 CYP6AS14 Apis mellifera Thymol results in increased expression of CYP6AS14 mRNA increases^expression 22212860
45 89-83-8 CYP6AS14 Apis mellifera Thymol results in increased expression of CYP6AS14 mRNA increases^expression 22212860
46 89-83-8 DSCAM Apis mellifera Thymol results in decreased expression of DSCAM mRNA decreases^expression 22212860
47 89-83-8 DSCAM Apis mellifera Thymol results in decreased expression of DSCAM mRNA decreases^expression 22212860
48 89-83-8 DSCAM Apis mellifera Thymol results in decreased expression of DSCAM mRNA decreases^expression 22212860
49 89-83-8 FAS Rattus norvegicus Thymol inhibits the reaction [Isoproterenol results in increased expression of FAS mRNA] decreases^reaction|increases^expression 26996544
50 89-83-8 FAS Rattus norvegicus Thymol inhibits the reaction [Isoproterenol results in increased expression of FAS mRNA] decreases^reaction|increases^expression 26996544
51 89-83-8 FAS Rattus norvegicus Thymol inhibits the reaction [Isoproterenol results in increased expression of FAS mRNA] decreases^reaction|increases^expression 26996544
52 89-83-8 GABRA1 Rattus norvegicus Thymol results in increased activity of [GABRG2 binds to GABRA1 binds to GABRB2] affects^binding|increases^activity 11399263
53 89-83-8 GABRA1 Rattus norvegicus Thymol results in increased activity of [GABRG2 binds to GABRA1 binds to GABRB2] affects^binding|increases^activity 11399263
54 89-83-8 GABRA1 Rattus norvegicus Thymol results in increased activity of [GABRG2 binds to GABRA1 binds to GABRB2] affects^binding|increases^activity 11399263
55 89-83-8 GSR Mus musculus Thymol inhibits the reaction [Dietary Fats results in decreased activity of GSR protein] decreases^activity|decreases^reaction 26680107
56 89-83-8 GSR Mus musculus Thymol inhibits the reaction [Dietary Fats results in decreased activity of GSR protein] decreases^activity|decreases^reaction 26680107
57 89-83-8 GSR Mus musculus Thymol inhibits the reaction [Dietary Fats results in decreased activity of GSR protein] decreases^activity|decreases^reaction 26680107
58 89-83-8 LDLR Ovis aries Thymol affects the activity of LDLR protein affects^activity 15663186
59 89-83-8 LDLR Ovis aries Thymol affects the activity of LDLR protein affects^activity 15663186
60 89-83-8 LDLR Ovis aries Thymol affects the activity of LDLR protein affects^activity 15663186
61 89-83-8 OGDH Rattus norvegicus Thymol inhibits the reaction [Isoproterenol results in decreased activity of OGDH protein] decreases^activity|decreases^reaction 26721194
62 89-83-8 OGDH Rattus norvegicus Thymol inhibits the reaction [Isoproterenol results in decreased activity of OGDH protein] decreases^activity|decreases^reaction 26721194
63 89-83-8 OGDH Rattus norvegicus Thymol inhibits the reaction [Isoproterenol results in decreased activity of OGDH protein] decreases^activity|decreases^reaction 26721194
64 89-83-8 PKA-C1 Apis mellifera Thymol results in increased expression of PKA-C1 mRNA increases^expression 22212860
65 89-83-8 PKA-C1 Apis mellifera Thymol results in increased expression of PKA-C1 mRNA increases^expression 22212860
66 89-83-8 PKA-C1 Apis mellifera Thymol results in increased expression of PKA-C1 mRNA increases^expression 22212860
67 89-83-8 PKA-R1 Apis mellifera Thymol results in increased expression of PKA-R1 mRNA increases^expression 22212860
68 89-83-8 PKA-R1 Apis mellifera Thymol results in increased expression of PKA-R1 mRNA increases^expression 22212860
69 89-83-8 PKA-R1 Apis mellifera Thymol results in increased expression of PKA-R1 mRNA increases^expression 22212860
70 89-83-8 RYR1 Sus scrofa Thymol results in increased activity of RYR1 protein increases^activity 17641978
71 89-83-8 RYR1 Sus scrofa Thymol results in increased activity of RYR1 protein increases^activity 17641978
72 89-83-8 RYR1 Sus scrofa Thymol results in increased activity of RYR1 protein increases^activity 17641978
73 89-83-8 SREBF1 Mus musculus Thymol inhibits the reaction [Dietary Fats results in increased expression of SREBF1 protein] decreases^reaction|increases^expression 26680107
74 89-83-8 SREBF1 Mus musculus Thymol inhibits the reaction [Dietary Fats results in increased expression of SREBF1 protein] decreases^reaction|increases^expression 26680107
75 89-83-8 SREBF1 Mus musculus Thymol inhibits the reaction [Dietary Fats results in increased expression of SREBF1 protein] decreases^reaction|increases^expression 26680107
76 89-83-8 TGFB1 Mus musculus Thymol inhibits the reaction [Dietary Fats results in increased expression of TGFB1 protein] decreases^reaction|increases^expression 26680107
77 89-83-8 TGFB1 Mus musculus Thymol inhibits the reaction [Dietary Fats results in increased expression of TGFB1 protein] decreases^reaction|increases^expression 26680107
78 89-83-8 TGFB1 Mus musculus Thymol inhibits the reaction [Dietary Fats results in increased expression of TGFB1 protein] decreases^reaction|increases^expression 26680107
79 89-83-8 TRPL Drosophila melanogaster Thymol results in decreased activity of TRPL protein decreases^activity 19135721
80 89-83-8 TRPL Drosophila melanogaster Thymol results in decreased activity of TRPL protein decreases^activity 19135721
81 89-83-8 TRPL Drosophila melanogaster Thymol results in decreased activity of TRPL protein decreases^activity 19135721
82 89-83-8 TRPV3 Homo sapiens Thymol results in increased activity of TRPV3 protein increases^activity 16617338
83 89-83-8 TRPV3 Homo sapiens Thymol results in increased activity of TRPV3 protein increases^activity 16617338
84 89-83-8 TRPV3 Homo sapiens Thymol results in increased activity of TRPV3 protein increases^activity 16617338
85 89-83-8 VEGFA Mus musculus Thymol inhibits the reaction [Dietary Fats results in increased expression of VEGFA protein] decreases^reaction|increases^expression 26680107
86 89-83-8 VEGFA Mus musculus Thymol inhibits the reaction [Dietary Fats results in increased expression of VEGFA protein] decreases^reaction|increases^expression 26680107
87 89-83-8 VEGFA Mus musculus Thymol inhibits the reaction [Dietary Fats results in increased expression of VEGFA protein] decreases^reaction|increases^expression 26680107
88 89-83-8 VG Apis mellifera Thymol results in decreased expression of VG mRNA decreases^expression 22212860
89 89-83-8 VG Apis mellifera Thymol results in decreased expression of VG mRNA decreases^expression 22212860
90 89-83-8 VG Apis mellifera Thymol results in decreased expression of VG mRNA decreases^expression 22212860
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 89-83-8 Thymol

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