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 ID | 6989 |
| Molecular Weight (g/mol) | 150.218 |
| Molecular Formula | C10H14O |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| IUPAC Name | 5-methyl-2-propan-2-ylphenol |
| Canonical SMILES | Cc1ccc(C(C)C)c(O)c1 |
| PUBCHEM IUPAC INCHIKEY | MGSRCZKZVOBKFT-UHFFFAOYSA-N |
| Solubility Level | 3 |
| Vapour Pressure | -2.364 |
Absorption and Metabolism information
| XLOGP3 AA | |
| CACTVS TPSA | 20.2 |
| BBB Level | 1 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 3.268 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Non-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Non-Carcinogen |
| Rat Male FDA | Multi-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Non-Toxic |
| Rat Oral LD50 | 0.524383 g/kg_body_weight |
| Ocular Irritancy | Severe |
| Hepatotoxic#Prediction | 1 |
| Effected Human Genes | GPT,ELN,ELANE,ACHE,TRPA1,AKR1A1,ALDH9A1,TRPV3,DSPP |
Ecological Information
| Aerobic Biodegradability Prediction | Non-Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Severe |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed 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 | NR1I3 | Homo sapiens | Bromthymol Blue binds to and results in decreased activity of NR1I3 protein alternative form | affects^binding|decreases^activity | 20869355 |
| 3 | 89-83-8 | BAX | Homo sapiens | Thymol results in increased expression of BAX protein | increases^expression | 21640085 |
| 4 | 89-83-8 | BCL2 | Homo sapiens | Thymol results in decreased expression of BCL2 protein | decreases^expression | 21640085 |
| 5 | 89-83-8 | BCL2L1 | Rattus norvegicus | Thymol inhibits the reaction [Isoproterenol results in decreased expression of BCL2L1 mRNA] | decreases^expression|decreases^reaction | 26996544 |
| 6 | 89-83-8 | BSK | Apis mellifera | Thymol results in decreased expression of BSK mRNA | decreases^expression | 22212860 |
| 7 | 89-83-8 | CASP3 | Homo sapiens | Thymol results in increased activity of CASP3 protein | increases^activity | 21640085 |
| 8 | 89-83-8 | CASP8 | Homo sapiens | Thymol results in increased activity of CASP8 protein | increases^activity | 21640085 |
| 9 | 89-83-8 | CASP8 | Rattus norvegicus | Thymol inhibits the reaction [Isoproterenol results in increased expression of CASP8 mRNA] | decreases^reaction|increases^expression | 26996544 |
| 10 | 89-83-8 | CASP9 | Homo sapiens | Thymol results in increased activity of CASP9 protein | increases^activity | 21640085 |
| 11 | 89-83-8 | CASP9 | Rattus norvegicus | Thymol inhibits the reaction [Isoproterenol results in increased expression of CASP9 mRNA] | decreases^reaction|increases^expression | 26996544 |
| 12 | 89-83-8 | CAT | Mus musculus | Thymol inhibits the reaction [Dietary Fats results in decreased activity of CAT protein] | decreases^activity|decreases^reaction | 26680107 |
| 13 | 89-83-8 | CAT | Rattus norvegicus | Thymol inhibits the reaction [Isoproterenol results in decreased activity of CAT protein] | decreases^activity|decreases^reaction | 26721194 |
| 14 | 89-83-8 | CYP306A1 | Apis mellifera | Thymol results in decreased expression of CYP306A1 mRNA | decreases^expression | 22212860 |
| 15 | 89-83-8 | CYP6AS14 | Apis mellifera | Thymol results in increased expression of CYP6AS14 mRNA | increases^expression | 22212860 |
| 16 | 89-83-8 | DSCAM | Apis mellifera | Thymol results in decreased expression of DSCAM mRNA | decreases^expression | 22212860 |
| 17 | 89-83-8 | FAS | Rattus norvegicus | Thymol inhibits the reaction [Isoproterenol results in increased expression of FAS mRNA] | decreases^reaction|increases^expression | 26996544 |
| 18 | 89-83-8 | GABRA1 | Rattus norvegicus | Thymol results in increased activity of [GABRG2 binds to GABRA1 binds to GABRB2] | affects^binding|increases^activity | 11399263 |
| 19 | 89-83-8 | GSR | Mus musculus | Thymol inhibits the reaction [Dietary Fats results in decreased activity of GSR protein] | decreases^activity|decreases^reaction | 26680107 |
| 20 | 89-83-8 | LDLR | Ovis aries | Thymol affects the activity of LDLR protein | affects^activity | 15663186 |
| 21 | 89-83-8 | OGDH | Rattus norvegicus | Thymol inhibits the reaction [Isoproterenol results in decreased activity of OGDH protein] | decreases^activity|decreases^reaction | 26721194 |
| 22 | 89-83-8 | PKA-C1 | Apis mellifera | Thymol results in increased expression of PKA-C1 mRNA | increases^expression | 22212860 |
| 23 | 89-83-8 | PKA-R1 | Apis mellifera | Thymol results in increased expression of PKA-R1 mRNA | increases^expression | 22212860 |
| 24 | 89-83-8 | RYR1 | Sus scrofa | Thymol results in increased activity of RYR1 protein | increases^activity | 17641978 |
| 25 | 89-83-8 | SREBF1 | Mus musculus | Thymol inhibits the reaction [Dietary Fats results in increased expression of SREBF1 protein] | decreases^reaction|increases^expression | 26680107 |
| 26 | 89-83-8 | TGFB1 | Mus musculus | Thymol inhibits the reaction [Dietary Fats results in increased expression of TGFB1 protein] | decreases^reaction|increases^expression | 26680107 |
| 27 | 89-83-8 | TRPL | Drosophila melanogaster | Thymol results in decreased activity of TRPL protein | decreases^activity | 19135721 |
| 28 | 89-83-8 | TRPV3 | Homo sapiens | Thymol results in increased activity of TRPV3 protein | increases^activity | 16617338 |
| 29 | 89-83-8 | VEGFA | Mus musculus | Thymol inhibits the reaction [Dietary Fats results in increased expression of VEGFA protein] | decreases^reaction|increases^expression | 26680107 |
| 30 | 89-83-8 | VG | Apis mellifera | Thymol results in decreased expression of VG mRNA | decreases^expression | 22212860 |
| 31 | 89-83-8 | NR1I2 | Homo sapiens | Bromthymol Blue binds to and results in increased activity of NR1I2 protein | affects^binding|increases^activity | 20869355 |
| 32 | 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 |
| 33 | 89-83-8 | BAX | Homo sapiens | Thymol results in increased expression of BAX protein | increases^expression | 21640085 |
| 34 | 89-83-8 | BCL2 | Homo sapiens | Thymol results in decreased expression of BCL2 protein | decreases^expression | 21640085 |
| 35 | 89-83-8 | BCL2L1 | Rattus norvegicus | Thymol inhibits the reaction [Isoproterenol results in decreased expression of BCL2L1 mRNA] | decreases^expression|decreases^reaction | 26996544 |
| 36 | 89-83-8 | BSK | Apis mellifera | Thymol results in decreased expression of BSK mRNA | decreases^expression | 22212860 |
| 37 | 89-83-8 | CASP3 | Homo sapiens | Thymol results in increased activity of CASP3 protein | increases^activity | 21640085 |
| 38 | 89-83-8 | CASP8 | Homo sapiens | Thymol results in increased activity of CASP8 protein | increases^activity | 21640085 |
| 39 | 89-83-8 | CASP8 | Rattus norvegicus | Thymol inhibits the reaction [Isoproterenol results in increased expression of CASP8 mRNA] | decreases^reaction|increases^expression | 26996544 |
| 40 | 89-83-8 | CASP9 | Homo sapiens | Thymol results in increased activity of CASP9 protein | increases^activity | 21640085 |
| 41 | 89-83-8 | CASP9 | Rattus norvegicus | Thymol inhibits the reaction [Isoproterenol results in increased expression of CASP9 mRNA] | decreases^reaction|increases^expression | 26996544 |
| 42 | 89-83-8 | CAT | Mus musculus | Thymol inhibits the reaction [Dietary Fats results in decreased activity of CAT protein] | decreases^activity|decreases^reaction | 26680107 |
| 43 | 89-83-8 | CAT | Rattus norvegicus | Thymol inhibits the reaction [Isoproterenol results in decreased activity of CAT protein] | decreases^activity|decreases^reaction | 26721194 |
| 44 | 89-83-8 | CYP306A1 | Apis mellifera | Thymol results in decreased expression of CYP306A1 mRNA | decreases^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 | FAS | Rattus norvegicus | Thymol inhibits the reaction [Isoproterenol results in increased expression of FAS mRNA] | decreases^reaction|increases^expression | 26996544 |
| 48 | 89-83-8 | GABRA1 | Rattus norvegicus | Thymol results in increased activity of [GABRG2 binds to GABRA1 binds to GABRB2] | affects^binding|increases^activity | 11399263 |
| 49 | 89-83-8 | GSR | Mus musculus | Thymol inhibits the reaction [Dietary Fats results in decreased activity of GSR protein] | decreases^activity|decreases^reaction | 26680107 |
| 50 | 89-83-8 | LDLR | Ovis aries | Thymol affects the activity of LDLR protein | affects^activity | 15663186 |
| 51 | 89-83-8 | OGDH | Rattus norvegicus | Thymol inhibits the reaction [Isoproterenol results in decreased activity of OGDH protein] | decreases^activity|decreases^reaction | 26721194 |
| 52 | 89-83-8 | PKA-C1 | Apis mellifera | Thymol results in increased expression of PKA-C1 mRNA | increases^expression | 22212860 |
| 53 | 89-83-8 | PKA-R1 | Apis mellifera | Thymol results in increased expression of PKA-R1 mRNA | increases^expression | 22212860 |
| 54 | 89-83-8 | RYR1 | Sus scrofa | Thymol results in increased activity of RYR1 protein | increases^activity | 17641978 |
| 55 | 89-83-8 | SREBF1 | Mus musculus | Thymol inhibits the reaction [Dietary Fats results in increased expression of SREBF1 protein] | decreases^reaction|increases^expression | 26680107 |
| 56 | 89-83-8 | TGFB1 | Mus musculus | Thymol inhibits the reaction [Dietary Fats results in increased expression of TGFB1 protein] | decreases^reaction|increases^expression | 26680107 |
| 57 | 89-83-8 | TRPL | Drosophila melanogaster | Thymol results in decreased activity of TRPL protein | decreases^activity | 19135721 |
| 58 | 89-83-8 | TRPV3 | Homo sapiens | Thymol results in increased activity of TRPV3 protein | increases^activity | 16617338 |
| 59 | 89-83-8 | VEGFA | Mus musculus | Thymol inhibits the reaction [Dietary Fats results in increased expression of VEGFA protein] | decreases^reaction|increases^expression | 26680107 |
| 60 | 89-83-8 | VG | Apis mellifera | Thymol results in decreased expression of VG mRNA | decreases^expression | 22212860 |
| 61 | 89-83-8 | NR1I2 | Homo sapiens | Bromthymol Blue binds to and results in increased activity of NR1I2 protein | affects^binding|increases^activity | 20869355 |
| 62 | 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 |
| 63 | 89-83-8 | BAX | Homo sapiens | Thymol results in increased expression of BAX protein | increases^expression | 21640085 |
| 64 | 89-83-8 | BCL2 | Homo sapiens | Thymol results in decreased expression of BCL2 protein | decreases^expression | 21640085 |
| 65 | 89-83-8 | BCL2L1 | Rattus norvegicus | Thymol inhibits the reaction [Isoproterenol results in decreased expression of BCL2L1 mRNA] | decreases^expression|decreases^reaction | 26996544 |
| 66 | 89-83-8 | BSK | Apis mellifera | Thymol results in decreased expression of BSK mRNA | decreases^expression | 22212860 |
| 67 | 89-83-8 | CASP3 | Homo sapiens | Thymol results in increased activity of CASP3 protein | increases^activity | 21640085 |
| 68 | 89-83-8 | CASP8 | Homo sapiens | Thymol results in increased activity of CASP8 protein | increases^activity | 21640085 |
| 69 | 89-83-8 | CASP8 | Rattus norvegicus | Thymol inhibits the reaction [Isoproterenol results in increased expression of CASP8 mRNA] | decreases^reaction|increases^expression | 26996544 |
| 70 | 89-83-8 | CASP9 | Homo sapiens | Thymol results in increased activity of CASP9 protein | increases^activity | 21640085 |
| 71 | 89-83-8 | CASP9 | Rattus norvegicus | Thymol inhibits the reaction [Isoproterenol results in increased expression of CASP9 mRNA] | decreases^reaction|increases^expression | 26996544 |
| 72 | 89-83-8 | CAT | Mus musculus | Thymol inhibits the reaction [Dietary Fats results in decreased activity of CAT protein] | decreases^activity|decreases^reaction | 26680107 |
| 73 | 89-83-8 | CAT | Rattus norvegicus | Thymol inhibits the reaction [Isoproterenol results in decreased activity of CAT protein] | decreases^activity|decreases^reaction | 26721194 |
| 74 | 89-83-8 | CYP306A1 | Apis mellifera | Thymol results in decreased expression of CYP306A1 mRNA | decreases^expression | 22212860 |
| 75 | 89-83-8 | CYP6AS14 | Apis mellifera | Thymol results in increased expression of CYP6AS14 mRNA | increases^expression | 22212860 |
| 76 | 89-83-8 | DSCAM | Apis mellifera | Thymol results in decreased expression of DSCAM mRNA | decreases^expression | 22212860 |
| 77 | 89-83-8 | FAS | Rattus norvegicus | Thymol inhibits the reaction [Isoproterenol results in increased expression of FAS mRNA] | decreases^reaction|increases^expression | 26996544 |
| 78 | 89-83-8 | GABRA1 | Rattus norvegicus | Thymol results in increased activity of [GABRG2 binds to GABRA1 binds to GABRB2] | affects^binding|increases^activity | 11399263 |
| 79 | 89-83-8 | GSR | Mus musculus | Thymol inhibits the reaction [Dietary Fats results in decreased activity of GSR protein] | decreases^activity|decreases^reaction | 26680107 |
| 80 | 89-83-8 | LDLR | Ovis aries | Thymol affects the activity of LDLR protein | affects^activity | 15663186 |
| 81 | 89-83-8 | OGDH | Rattus norvegicus | Thymol inhibits the reaction [Isoproterenol results in decreased activity of OGDH protein] | decreases^activity|decreases^reaction | 26721194 |
| 82 | 89-83-8 | PKA-C1 | Apis mellifera | Thymol results in increased expression of PKA-C1 mRNA | increases^expression | 22212860 |
| 83 | 89-83-8 | PKA-R1 | Apis mellifera | Thymol results in increased expression of PKA-R1 mRNA | increases^expression | 22212860 |
| 84 | 89-83-8 | RYR1 | Sus scrofa | Thymol results in increased activity of RYR1 protein | increases^activity | 17641978 |
| 85 | 89-83-8 | SREBF1 | Mus musculus | Thymol inhibits the reaction [Dietary Fats results in increased expression of SREBF1 protein] | decreases^reaction|increases^expression | 26680107 |
| 86 | 89-83-8 | TGFB1 | Mus musculus | Thymol inhibits the reaction [Dietary Fats results in increased expression of TGFB1 protein] | decreases^reaction|increases^expression | 26680107 |
| 87 | 89-83-8 | TRPL | Drosophila melanogaster | Thymol results in decreased activity of TRPL protein | decreases^activity | 19135721 |
| 88 | 89-83-8 | TRPV3 | Homo sapiens | Thymol results in increased activity of TRPV3 protein | increases^activity | 16617338 |
| 89 | 89-83-8 | VEGFA | Mus musculus | Thymol inhibits the reaction [Dietary Fats results in increased expression of VEGFA protein] | decreases^reaction|increases^expression | 26680107 |
| 90 | 89-83-8 | VG | Apis mellifera | Thymol results in decreased expression of VG mRNA | decreases^expression | 22212860 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 89-83-8 | Thymol |
Plant Variety and Essential oils
Compound Image
2D Structure
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