AromaDb: A Database of Plant's Aroma Molecules

Patchouli Alcohol Details

: IUPAC Name
NA
:Chemical Class
Alcohol
:CAS Registry Number
5986-55-0
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID10955174
Molecular Weight (mg/mol)222.366
Molecular FormulaC15H26O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
IUPAC Name
Canonical SMILESCC2CCC1(O)C(C)(C)C3CCC1(C)C2C3
PUBCHEM IUPAC INCHIKEYGGHMUJBZYLPWFD-CUZKYEQNSA-N
Solubility Level2
Vapour Pressure-2.998

Absorption and Metabolism information

XLOGP3 AA4.1
CACTVS TPSA20.2
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.427
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD502.94102 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction1
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

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

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed 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 DetailsReferences (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 NameVariety NameEssential OilCompound Percentage
1 Patchouli Patchouli essential oil

Compound Image


2D Structure

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