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

Compound Image

2D Structure

Download



Download Sdf File Download PDB File Download MOL File
View Similar Structures (External DB)
Disclaimer | © Copyright 2020
CSIR-CIMAP