Patchouli Alcohol Details
: IUPAC Name
NA
:Chemical Class
Alcohol
:CAS Registry Number
5986-55-0
:Description
:Fragrance Type
Physical and Chemical properties
| PUBCHEM ID | 10955174 |
| Molecular Weight (mg/mol) | 222.366 |
| Molecular Formula | C15H26O |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| IUPAC Name | |
| Canonical SMILES | CC2CCC1(O)C(C)(C)C3CCC1(C)C2C3 |
| PUBCHEM IUPAC INCHIKEY | GGHMUJBZYLPWFD-CUZKYEQNSA-N |
| Solubility Level | 2 |
| Vapour Pressure | -2.998 |
Absorption and Metabolism information
| XLOGP3 AA | 4.1 |
| CACTVS TPSA | 20.2 |
| BBB Level | 1 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 3.427 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Multi-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Single-Carcinogen |
| Rat Male FDA | Multi-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Toxic |
| Rat Oral LD50 | 2.94102 g/kg_body_weight |
| Ocular Irritancy | Severe |
| Hepatotoxic#Prediction | 1 |
| Effected Human Genes |
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 | 5986-55-0 | CAT | Rattus norvegicus | patchouli alcohol inhibits the reaction [Ethanol results in decreased activity of CAT protein] | decreases^activity|decreases^reaction | 25168850 |
| 2 | 5986-55-0 | IL10 | Rattus norvegicus | patchouli alcohol inhibits the reaction [Ethanol results in decreased expression of IL10 protein] | decreases^expression|decreases^reaction | 25168850 |
| 3 | 5986-55-0 | IL6 | Homo sapiens | patchouli alcohol inhibits the reaction [TNF protein results in increased expression of IL6 mRNA] | decreases^reaction|increases^expression | 23348408 |
| 4 | 5986-55-0 | IL6 | Homo sapiens | patchouli alcohol inhibits the reaction [TNF protein results in increased expression of IL6 protein] | decreases^reaction|increases^expression | 23348408 |
| 5 | 5986-55-0 | IL6 | Mus musculus | patchouli alcohol inhibits the reaction [Lipopolysaccharides results in increased expression of IL6 mRNA] | decreases^reaction|increases^expression | 23348408 |
| 6 | 5986-55-0 | IL6 | Mus musculus | patchouli alcohol inhibits the reaction [Lipopolysaccharides results in increased expression of IL6 protein] | decreases^reaction|increases^expression | 23348408 |
| 7 | 5986-55-0 | IL6 | Rattus norvegicus | patchouli alcohol inhibits the reaction [Ethanol results in increased expression of IL6 protein] | decreases^reaction|increases^expression | 25168850 |
| 8 | 5986-55-0 | MAPK1 | Mus musculus | patchouli alcohol inhibits the reaction [Lipopolysaccharides results in increased expression of MAPK1 protein modified form] | decreases^reaction|increases^expression | 23348408 |
| 9 | 5986-55-0 | MAPK1 | Mus musculus | patchouli alcohol inhibits the reaction [TNF protein results in increased expression of MAPK1 protein modified form] | decreases^reaction|increases^expression | 23348408 |
| 10 | 5986-55-0 | MAPK3 | Mus musculus | patchouli alcohol inhibits the reaction [Lipopolysaccharides results in increased expression of MAPK3 protein modified form] | decreases^reaction|increases^expression | 23348408 |
| 11 | 5986-55-0 | MAPK3 | Mus musculus | patchouli alcohol inhibits the reaction [TNF protein results in increased expression of MAPK3 protein modified form] | decreases^reaction|increases^expression | 23348408 |
| 12 | 5986-55-0 | NOS2 | Homo sapiens | patchouli alcohol inhibits the reaction [TNF protein results in increased expression of NOS2 mRNA] | decreases^reaction|increases^expression | 23348408 |
| 13 | 5986-55-0 | NOS2 | Homo sapiens | patchouli alcohol inhibits the reaction [TNF protein results in increased expression of NOS2 protein] | decreases^reaction|increases^expression | 23348408 |
| 14 | 5986-55-0 | NOS2 | Mus musculus | patchouli alcohol inhibits the reaction [Lipopolysaccharides results in increased expression of NOS2 mRNA] | decreases^reaction|increases^expression | 23348408 |
| 15 | 5986-55-0 | NOS2 | Mus musculus | patchouli alcohol inhibits the reaction [Lipopolysaccharides results in increased expression of NOS2 protein] | decreases^reaction|increases^expression | 23348408 |
| 16 | 5986-55-0 | PTGS1 | Rattus norvegicus | patchouli alcohol inhibits the reaction [Indomethacin results in decreased expression of PTGS1 mRNA] | decreases^expression|decreases^reaction | 25168850 |
| 17 | 5986-55-0 | PTGS2 | Rattus norvegicus | patchouli alcohol inhibits the reaction [Indomethacin results in decreased expression of PTGS2 mRNA] | decreases^expression|decreases^reaction | 25168850 |
| 18 | 5986-55-0 | TNF | Rattus norvegicus | patchouli alcohol inhibits the reaction [Ethanol results in increased expression of TNF protein] | decreases^reaction|increases^expression | 25168850 |
| 19 | 5986-55-0 | TNF | patchouli alcohol results in decreased susceptibility to TNF protein | decreases^response to substance | 23348408 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 5986-55-0 | Patchouli Alcohol |
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Patchouli | Patchouli essential oil |
Compound Image
2D Structure
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