AromaDb: A Database of Plant's Aroma Molecules

Alpha-Pinene Details

: IUPAC Name
4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
:Chemical Class
Monoterpene
:CAS Registry Number
80-56-8
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID6654
Molecular Weight (mg/mol)136.234
Molecular FormulaC10H16
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
IUPAC Name4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
Canonical SMILESC/C1=C/CC2CC1C2(C)C
PUBCHEM IUPAC INCHIKEYGRWFGVWFFZKLTI-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure0.49

Absorption and Metabolism information

XLOGP3 AA2.8
CACTVS TPSA0
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP982.872
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 LD501.5683 g/kg_body_weight
Ocular IrritancyMild
Hepatotoxic#Prediction0
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 80-56-8 CYB5A Helicoverpa armigera alpha-pinene results in increased expression of CYB5A mRNA increases^expression 10620039
2 80-56-8 CYB5A Helicoverpa armigera alpha-pinene results in increased expression of CYB5A mRNA increases^expression 10620039
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 80-56-8 Alpha-Pinene

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Holy Basil, Tulsi CIM-Angana Ocimum sanctum CIM-Angana essential oil
2 Menthol mint, Corn mint, Japanese mint Gomti Mentha arvensis Gomti essential oil
3 Menthol mint, Corn mint, Japanese mint MAS-1 Mentha arvensis MAS-1 essential oil
4 Menthol mint, Corn mint, Japanese mint Damroo Mentha arvensis Damroo essential oil
5 Menthol mint, Corn mint, Japanese mint Himalaya Mentha arvensis Himalaya essential oil
6 Menthol mint, Corn mint, Japanese mint Kosi Mentha arvensis Kosi essential oil
7 Menthol mint, Corn mint, Japanese mint Kalka Mentha arvensis Kalka essential oil
8 Menthol mint, Corn mint, Japanese mint Saksham Mentha arvensis Saksham essential oil
9 Menthol mint, Corn mint, Japanese mint Sambhav Mentha arvensis Sambhav essential oil
10 Menthol mint, Corn mint, Japanese mint Kushal Mentha arvensis Kushal essential oil
11 Peppermint CIM-Madhuras Mentha piperita CIm-Madhuras essential oil
12 Peppermint CIMAP-Patra Mentha piperita CIMAP-Patra essential oil
13 Peppermint Kukrail Mentha piperita Kukrail essential oil
14 Fennel, Saunf CIM-sujal Foeniculum vulgare CIM-Sujal essential oil
15 Bergot mint Kiran Mentha citrata Kiran essential oil
16 Peppermint CIM-Indus Mentha piperita CIM-Indus essential oil
17 Chamomile, German chamomile, Gule-babuna CIM-Sammohak Chamomila recutita essential oil
18 Chamomile, German chamomile, Gule-babuna CIM-Sammohak Chamomila recutita essential oil
19 French basil, Indian basil, Sweet basil CIM-Saumya Ocimum basilicum CIM-Saumya essential oil
20 French basil, Indian basil, Sweet basil CIM-Sharada Ocimum basilicum CIM-Sharada essential oil
21 French basil, Indian basil, Sweet basil Kusumohak Ocimum basilicum Kusumohak essential oil
22 Spearmint Arka Mentha spicata Arka essential oil
23 Spearmint MSS-5 Mentha spicata MSS-5 essential oil
24 Spearmint Neera Mentha spicata Neera essential oil
25 Spearmint Neerkalka Mentha spicata Neerkalka essential oil
26 Geranium Pelargonium roseum essential oil
27 Lavendula angustifolia Sher-e-Kashmir Lavandula angustifolia sher-e-Kashmir essential oil
28 Lemongrass Cauvery Cymbopogon flexuosus Cauvery essential oil
29 Hook Cymbopogon microstachys essential oil
30 Cymbopogon Cymbopogon nardus essential oil
31 Curry tree Murraya koenigii essential oil
32 Holy basil Ocimum tenuiflorum essential oil
33 Horsechestnut Aesculus hippocastanum essential oil
34 Starflower Borago officinalis essential oil
35 American wild mint Mentha essential canadensis essential oil
36 Lemon beebalm, Lemon mint Monarda citriodora essential oil
37 Clarysage Salvia officinalis essential oil
38 Menthol mint, Corn mint, Japanese mint CIM-Kranti Mentha arvensis CIM-Kranti essential oil
39 Menthol mint, Corn mint, Japanese mint CIM-Saryu Mentha arvensis CIM-Saryu essential oil
40 Lemongrass Chirharit Cymbopogon flexuosus Chirharit essential oil
41 Lemongrass CIMAP-Suwarna Cymbopogon flexuosus CIMAP-Suwarna essential oil
42 Lemongrass GRL-1 Cymbopogon flexuosus GRL-1 essential oil
43 Lemongrass T-1 Cymbopogon flexuosus T-1 essential oil
44 Gum rockrose Cistus ladanifer essential oil
45 Gum rockrose Cistus ladanifer ESSENTIAL OIL
46 Southern magnolia Magnolia grandiflora essential oil
47 Horse Mint Mentha longifolia essential oil
48 Cummin Cuminum cyminum essential oil

Compound Image


2D Structure

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(External database - ChemAxon)