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
:CAS Registry Number
80-56-8
:Description

:Fragrance Type
pine

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-Ayu Ocimum sanctum CIM-Ayu essential oil
2 Holy Basil, Tulsi CIM-Kanchan Ocimum sanctum CIM-Kanchan essential oil
3 Sweet flag, Vach, Bhoja CIM-Balya Acorus calamus CIM-Balya essential oil
4 French basil, Indian basil, Sweet basil Vikarsudha Ocimum basilicum vikarsudha essential oil
5 Geranium, Rose Scented Geranium CIM-BIO 171 Pelargonium graveolens CIM-BIO 171 essential oil
6 Geranium, Rose Scented Geranium CIM-Pawan Pelargonium graveolens CIM-Pawan essential oil
7 Geranium, Rose Scented Geranium Kelkar Pelargonium graveolens Kelkar essential oil
8 Lemon grass Cymbopogan citratus essential oil
9 Pot marigold, ruddles, common marigold, garden marigold, English marigold, or Scottish marigold Calendula officinalis essential oil
10 Clarysage Salvia officinalis essential oil
11 Garden Mint, Pudina Ganga Mentha Viridis essential oil
12 Garden Mint, Pudina Supriya Mentha Viridis Supriya essential oil
13 Lemongrass Pragati Cymbopogon flexuosus Pragati essential oil
14 Lemongrass Praman Cymbopogon flexuosus praman essential oil
15 Levisticum officinalis Levisticum aofficinalis essential oil
16 Languas galanga Alpinia galanga essential oil
17 White turmeric Curcuma zedoaria essential oil
18 Kuth Saussurea lappa essential oil
19 American pepper Schinus molle essential oil
20 Oregano Origanum vulgare essential oil
21 Feverfew Tanacetum parthenium essential oil
22 Sweet violet Viola odorata essential oil
23 Garden angelica Angelica archangelican essential oil
24 Lemon myrtle, Lemon scented myrtle, Lemon scented ironwood Backhousia citriodora essential oil
25 Myrtle Myrtus communis essential oil
26 Blackcurrant Ribes nigrum essential oil
27 Roth Limnophila rugosa essential oil
28 Lemon balm Melissa officinalis essential oil
29 Broadleaved lavender, spike lavender or Portuguese lavender Lavandula latifolia essential oil
30 Snowbell styrax officinalis essential oil
31 Catnip, Catswort, or Catmint Nepeta cataria essential oil
32 Bay laurel, Sweet bay, Bay tree Laurus nobilis essential oil
33 Hyssopus Hyssopus officinalis essential oil
34 Common hop Humulus lupulus essential oil
35 Common yarrow Achillea millefolium essential oil
36 Mexican pepperleaf Piper auritum essential oil
37 Mexican pepperleaf Piper auritum essential oil
38 Garden heliotrope Heliotropium floridum essential oil
39 Roman chamomile Chamaemelum nobile essential oil
40 Crimson beebalm, Scarlet beebalm Crimson beebalm essential oil
41 Pistachio Pistacia vera essential oil
42 Bulgarian fir Abies borisii-regis essential oil
43 Abies cephalonica Abies cephalonica essential oil
44 silver fir Abies alba essential oil
45 Abies sachalinensis Abies sachalinensis essential oil
46 Shampoo ginger. Bitter ginger Zingiber zerumbet essential oil
47 sweet yarrow Achillea ageratum essential oil
48 Aframomum stipulatum Aframomum stipulatum
49 Goatweed Ageratum conyzoides essential oil
50 Yellow bugle Ajuga chamaepitys essential oil
51 Shell ginger Alpinia zerumbet essential oil
52 Black cardamom Amomum subulatum essential oil
53 Amyris elimifera Amyris elimifera essential oil
54 Cashew tree Anacardium occidentale essential oil
55 Cashew tree Anacardium occidentale essential oil
56 Anethum graveolens Anethum graveolens essential oil
57 Holy Ghost Angelica archangelica essential oil
58 Sitafal Annona cherimola essential oil
59 Sitafal Annona cherimola essential oil
60 Sitafal Annona cherimola essential oil
61 Custard apple Annona reticulata essential oil
62 Artemisia dracunculus Artemisia dracunculus essential oil
63 Artemisia dracunculus Artemisia dracunculus essential oil
64 Bixa orellana Bixa orellana essential oil
65 Bottlebrushes Callistemon citrinus essential oil
66 Jamun Syzygium cordatum essential oil
67 Bushkiller Cayratia japonica essential oil
68 Bushkiller Cayratia japonica essential oil
69 Bramhi Centella asiatica essential oil
70 Bramhi Centella asiatica essential oil
71 Chrysanthemum coronarium Chrysanthemum indicum essential oil
72 Mums Chrysanthemum indicum essential oil
73 Chikras Chukrasia tabularis essential oil
74 Coriandrum Sativum Coriandrum sativum essential oil
75 Coriandrum Sativum Coriandrum sativum essential oil
76 Cupressus sempervirens Cupressus sempervirens essential oil
77 Narrow-leaved turmeric Curcuma angustifolia essential oil
78 Wild carrot Daucus carota ssp. carota essential oil
79 Wild carrot Daucus carota essential oil
80 Elsholtzia blanda Elsholtzia blanda essential oil
81 Vietnamese Balm Elsholtzia ciliata essential oil
82 Southern blue-gum Eucalyptus globulus essential oil
83 Pitanga Eugenia uniflora essential oil
84 Matricaria chamomilla Matricaria chamomilla essential oil

Compound Image


2D Structure

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