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

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Scotch spearmint Mukta Mentha X gracilis Mukta essential oil
2 Scotch spearmint Pratik Mentha x gracilis Pratik essential oil
3 Rosemary CIM-Hariyali Rosmarinus officinali CIM-Hariyali essential oil
4 Lavendula angustifolia Sher-e-Kashmir Lavandula angustifolia sher-e-Kashmir essential oil
5 Lemon beebalm, Lemon mint Monarda citriodora essential oil
6 Psyllium, isabgol or isabhghula Mayuri Plantago ovata Mayuri essential oil
7 Psyllium, isabgol or isabhghula Nimisha Plantago ovata Nimisha essential oil
8 Oregano Origanum vulgare essential oil
9 Horse Mint Mentha longifolia essential oil
10 Garden heliotrope Galium odoratum essential oil
11 Crimson beebalm, Scarlet beebalm Crimson beebalm essential oil
12 Aframomum stipulatum Aframomum stipulatum
13 Arnica montana Arnica montana essential oil
14 Chaerophyllum villosum Chaerophyllum villosum essential oil
15 Chaerophyllum villosum Chaerophyllum villosum essential oil
16 Narrow-leaved turmeric Curcuma angustifolia essential oil
17 Vietnamese Balm Elsholtzia ciliata essential oil
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