Linalool Details
:
IUPAC Name
3,7-dimethylocta-1,6-dien-3-ol
:Chemical Class
Monoterpene
:CAS Registry Number
78-70-6
:Description
:Fragrance Type
lavender
Physical and Chemical properties
| PUBCHEM ID | 6549 |
| Molecular Weight (g/mol) | 154.249 |
| Molecular Formula | C10H18O |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| IUPAC Name | 3,7-dimethylocta-1,6-dien-3-ol |
| Canonical SMILES | C=CC(C)(O)CC/C=C(C)/C |
| PUBCHEM IUPAC INCHIKEY | CDOSHBSSFJOMGT-UHFFFAOYSA-N |
| Solubility Level | 3 |
| Vapour Pressure | -0.924 |
Absorption and Metabolism information
| XLOGP3 AA | 2.7 |
| CACTVS TPSA | 20.2 |
| BBB Level | 1 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 2.735 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Non-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Single-Carcinogen |
| Rat Male FDA | Single-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Toxic |
| Rat Oral LD50 | 1.37687 g/kg_body_weight |
| Ocular Irritancy | Severe |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes | HMGCR, TP53, SREBF2, DRD1, DRD2 |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Moderate |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
|---|---|---|---|---|---|---|
| 1 | 78-70-6 | ACHE | Electrophorus electricus | linalool results in increased activity of ACHE protein | increases^activity | 25636489 |
| 2 | 78-70-6 | AKR1C2 | Homo sapiens | linalool results in increased expression of AKR1C2 mRNA | increases^expression | 20491607 |
| 3 | 78-70-6 | AKT1 | Homo sapiens | linalool results in increased expression of AKT1 mRNA | increases^expression | 19922762 |
| 4 | 78-70-6 | ALAS2 | Rattus norvegicus | linalool results in decreased expression of ALAS2 mRNA | decreases^expression | 20536181 |
| 5 | 78-70-6 | APH1B | Rattus norvegicus | linalool results in decreased expression of APH1B mRNA | decreases^expression | 20536181 |
| 6 | 78-70-6 | ATF2 | Homo sapiens | linalool results in increased expression of ATF2 mRNA | increases^expression | 19922762 |
| 7 | 78-70-6 | BAX | Homo sapiens | linalool results in increased expression of BAX mRNA | increases^expression | 26703569 |
| 8 | 78-70-6 | BIRC2 | Homo sapiens | linalool results in increased expression of BIRC2 mRNA | increases^expression | 19922762 |
| 9 | 78-70-6 | BIRC3 | Homo sapiens | linalool results in increased expression of BIRC3 mRNA | increases^expression | 19922762 |
| 10 | 78-70-6 | CASP3 | Homo sapiens | linalool results in increased expression of CASP3 mRNA | increases^expression | 26703569 |
| 11 | 78-70-6 | CASP8 | Homo sapiens | linalool results in increased expression of CASP8 mRNA | increases^expression | 26703569 |
| 12 | 78-70-6 | CASP9 | Homo sapiens | linalool results in increased expression of CASP9 mRNA | increases^expression | 26703569 |
| 13 | 78-70-6 | CDH1 | Homo sapiens | linalool results in increased expression of CDH1 mRNA | increases^expression | 26703569 |
| 14 | 78-70-6 | CDKN1A | Homo sapiens | linalool results in increased expression of CDKN1A mRNA | increases^expression | 19922762|26703569 |
| 15 | 78-70-6 | CDKN1B | Homo sapiens | linalool results in increased expression of CDKN1B mRNA | increases^expression | 19922762 |
| 16 | 78-70-6 | CDKN1C | Homo sapiens | linalool results in increased expression of CDKN1C mRNA | increases^expression | 19922762 |
| 17 | 78-70-6 | CDKN2A | Homo sapiens | linalool results in increased expression of CDKN2A mRNA | increases^expression | 26703569 |
| 18 | 78-70-6 | CDKN2B | Homo sapiens | linalool results in increased expression of CDKN2B mRNA | increases^expression | 19922762 |
| 19 | 78-70-6 | CDKN2C | Homo sapiens | linalool results in increased expression of CDKN2C mRNA | increases^expression | 26703569 |
| 20 | 78-70-6 | CEBPB | Rattus norvegicus | linalool results in increased expression of CEBPB mRNA | increases^expression | 20536181 |
| 21 | 78-70-6 | CEBPD | Rattus norvegicus | linalool results in increased expression of CEBPD mRNA | increases^expression | 20536181 |
| 22 | 78-70-6 | COL10A1 | Rattus norvegicus | linalool results in increased expression of COL10A1 mRNA | increases^expression | 20536181 |
| 23 | 78-70-6 | CSN2 | Homo sapiens | linalool results in increased expression of CSN2 mRNA | increases^expression | 19922762 |
| 24 | 78-70-6 | CTSD | Homo sapiens | linalool results in increased expression of CTSD mRNA | increases^expression | 19922762 |
| 25 | 78-70-6 | CYP1A1 | Homo sapiens | linalool results in increased expression of CYP1A1 mRNA | increases^expression | 20491607 |
| 26 | 78-70-6 | DNAJB1 | Rattus norvegicus | linalool results in increased expression of DNAJB1 mRNA | increases^expression | 20536181 |
| 27 | 78-70-6 | EDN1 | Homo sapiens | linalool results in increased expression of EDN1 mRNA | increases^expression | 19922762 |
| 28 | 78-70-6 | EGFR | Homo sapiens | linalool results in increased expression of EGFR mRNA | increases^expression | 19922762 |
| 29 | 78-70-6 | FN1 | Homo sapiens | linalool results in increased expression of FN1 mRNA | increases^expression | 19922762 |
| 30 | 78-70-6 | FOS | Rattus norvegicus | linalool results in increased expression of FOS mRNA | increases^expression | 20536181 |
| 31 | 78-70-6 | GABBR1 | Rattus norvegicus | linalool results in increased expression of GABBR1 mRNA | increases^expression | 20536181 |
| 32 | 78-70-6 | GABRA1 | Bos taurus | linalool promotes the reaction [gamma-Aminobutyric Acid results in increased activity of [GABRA1 protein co-treated with GABRB1 protein]] | affects^cotreatment|increases^activity|increases^reaction | 16569037 |
| 33 | 78-70-6 | GADD45A | Homo sapiens | linalool results in increased expression of GADD45A mRNA | increases^expression | 19922762 |
| 34 | 78-70-6 | GADD45A | Homo sapiens | linalool results in increased expression of GADD45A protein | increases^expression | 19922762 |
| 35 | 78-70-6 | GCLC | Homo sapiens | linalool results in increased expression of GCLC mRNA | increases^expression | 20491607 |
| 36 | 78-70-6 | HBB | Rattus norvegicus | linalool results in decreased expression of HBB mRNA | decreases^expression | 20536181 |
| 37 | 78-70-6 | HMGCR | Homo sapiens | linalool inhibits the reaction [KAT2B protein binds to HMGCR promoter] | affects^binding|decreases^reaction | 21944868 |
| 38 | 78-70-6 | HMGCR | Homo sapiens | linalool inhibits the reaction [SREBF2 protein binds to HMGCR promoter] | affects^binding|decreases^reaction | 21944868 |
| 39 | 78-70-6 | HMGCR | Homo sapiens | linalool results in decreased expression of and results in increased ubiquitination of HMGCR protein | decreases^expression|increases^ubiquitination | 21944868 |
| 40 | 78-70-6 | HMGCR | Homo sapiens | linalool results in decreased expression of HMGCR mRNA | decreases^expression | 21944868 |
| 41 | 78-70-6 | HMGCR | Homo sapiens | linalool results in decreased expression of HMGCR protein | decreases^expression | 24613879 |
| 42 | 78-70-6 | HOMER1 | Rattus norvegicus | linalool results in increased expression of HOMER1 mRNA | increases^expression | 20536181 |
| 43 | 78-70-6 | HSF1 | Homo sapiens | linalool results in increased expression of HSF1 mRNA | increases^expression | 19922762 |
| 44 | 78-70-6 | HSP90AA1 | Homo sapiens | linalool results in increased expression of HSP90AA1 mRNA | increases^expression | 19922762 |
| 45 | 78-70-6 | HSPA1L | Rattus norvegicus | linalool results in increased expression of HSPA1L mRNA | increases^expression | 20536181 |
| 46 | 78-70-6 | HSPA4 | Homo sapiens | linalool results in increased expression of HSPA4 mRNA | increases^expression | 19922762 |
| 47 | 78-70-6 | HSPB1 | Rattus norvegicus | linalool results in increased expression of HSPB1 mRNA | increases^expression | 20536181 |
| 48 | 78-70-6 | HSPB2 | Homo sapiens | linalool results in increased expression of HSPB2 mRNA | increases^expression | 19922762 |
| 49 | 78-70-6 | HSPH1 | Rattus norvegicus | linalool results in increased expression of HSPH1 mRNA | increases^expression | 20536181 |
| 50 | 78-70-6 | ID2 | Homo sapiens | linalool results in increased expression of ID2 mRNA | increases^expression | 19922762 |
| 51 | 78-70-6 | INSIG1 | Homo sapiens | linalool results in increased expression of INSIG1 protein | increases^expression | 21944868 |
| 52 | 78-70-6 | JUN | Homo sapiens | linalool results in increased expression of JUN protein | increases^expression | 19922762 |
| 53 | 78-70-6 | LDLR | Ovis aries | linalool affects the activity of LDLR protein | affects^activity | 15663186 |
| 54 | 78-70-6 | MARCKS | Rattus norvegicus | linalool results in increased expression of MARCKS mRNA | increases^expression | 20536181 |
| 55 | 78-70-6 | MDM2 | Homo sapiens | linalool results in increased expression of MDM2 mRNA | increases^expression | 19922762 |
| 56 | 78-70-6 | MMP9 | Homo sapiens | linalool results in increased expression of MMP9 mRNA | increases^expression | 26703569 |
| 57 | 78-70-6 | MPZ | Rattus norvegicus | linalool results in decreased expression of MPZ mRNA | decreases^expression | 20536181 |
| 58 | 78-70-6 | MYC | Homo sapiens | linalool results in increased expression of MYC mRNA | increases^expression | 19922762 |
| 59 | 78-70-6 | NFKB1 | Homo sapiens | linalool results in increased expression of NFKB1 mRNA | increases^expression | 19922762 |
| 60 | 78-70-6 | NPY | Homo sapiens | linalool results in increased expression of NPY protein | increases^expression | 22757684 |
| 61 | 78-70-6 | NPY | Rattus norvegicus | linalool results in increased expression of NPY mRNA | increases^expression | 22757684 |
| 62 | 78-70-6 | PSMD9 | Homo sapiens | linalool results in increased expression of PSMD9 mRNA | increases^expression | 26703569 |
| 63 | 78-70-6 | PXMP4 | Rattus norvegicus | linalool results in decreased expression of PXMP4 mRNA | decreases^expression | 20536181 |
| 64 | 78-70-6 | RGD1310127 | Rattus norvegicus | linalool results in increased expression of RGD1310127 mRNA | increases^expression | 20536181 |
| 65 | 78-70-6 | RGS5 | Rattus norvegicus | linalool results in increased expression of RGS5 mRNA | increases^expression | 20536181 |
| 66 | 78-70-6 | S100A9 | Rattus norvegicus | linalool results in decreased expression of S100A9 mRNA | decreases^expression | 20536181 |
| 67 | 78-70-6 | SLC6A3 | Rattus norvegicus | linalool results in decreased expression of SLC6A3 mRNA | decreases^expression | 20536181 |
| 68 | 78-70-6 | SOX11 | Rattus norvegicus | linalool results in increased expression of SOX11 mRNA | increases^expression | 20536181 |
| 69 | 78-70-6 | SREBF2 | Homo sapiens | linalool results in decreased expression of SREBF2 mRNA | decreases^expression | 21944868 |
| 70 | 78-70-6 | SREBF2 | Homo sapiens | linalool results in decreased expression of SREBF2 protein | decreases^expression | 21944868 |
| 71 | 78-70-6 | TH | Rattus norvegicus | linalool results in decreased expression of TH mRNA | decreases^expression | 20536181 |
| 72 | 78-70-6 | TP53 | Homo sapiens | linalool results in increased expression of TP53 mRNA | increases^expression | 26703569 |
| 73 | 78-70-6 | TP53 | Homo sapiens | linalool results in increased expression of TP53 protein | increases^expression | 19922762 |
| 74 | 78-70-6 | TP53 | Homo sapiens | TP53 results in increased susceptibility to linalool | increases^response to substance | 19922762 |
| 75 | 78-70-6 | TSHB | Rattus norvegicus | linalool results in decreased expression of TSHB mRNA | decreases^expression | 20536181 |
| 76 | 78-70-6 | TXN | Homo sapiens | linalool results in increased expression of TXN mRNA | increases^expression | 20491607 |
| 77 | 78-70-6 | VOF16 | Rattus norvegicus | linalool results in increased expression of VOF16 mRNA | increases^expression | 20536181 |
| 78 | 78-70-6 | WNT1 | Homo sapiens | linalool results in increased expression of WNT1 mRNA | increases^expression | 19922762 |
| 79 | 78-70-6 | WSB1 | Homo sapiens | linalool results in increased expression of WSB1 mRNA | increases^expression | 19922762 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 78-70-6 | Linalool |
Plant Variety and Essential oils
Compound Image
2D Structure
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