AromaDb: A Database of Plant's Aroma Molecules

Limonene Details

: IUPAC Name
(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene
:Chemical Class
Monoterpene
:CAS Registry Number
5989-27-5
:Description

:Fragrance Type
citrus

Physical and Chemical properties

PUBCHEM ID440917
Molecular Weight (mg/mol)136.234
Molecular FormulaC10H16
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
IUPAC Name(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene
Canonical SMILESC=C(C)C1C/C=C(C)CC1
PUBCHEM IUPAC INCHIKEYXMGQYMWWDOXHJM-JTQLQIEISA-N
Solubility Level3
Vapour Pressure0.227

Absorption and Metabolism information

XLOGP3 AA3.4
CACTVS TPSA0
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP983.502
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 LD502.46678 g/kg_body_weight
Ocular IrritancyModerate
Hepatotoxic#Prediction0
Effected Human GenesCYP2C19,CYP2C9,HRAS,HMGCR,MAPK1,LCN9,PLAU,CCL2,MAPK14,BMP6,YY1,CYCS,CASP9,CDK20,CSN1S1

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 5989-27-5
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 5989-27-5 Limonene

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 Peppermint CIM-Madhuras Mentha piperita CIm-Madhuras essential oil
3 Peppermint Kukrail Mentha piperita Kukrail essential oil
4 Peppermint Tushar Mentha piperita Tushar essential oil
5 Fennel, Saunf CIM-sujal Foeniculum vulgare CIM-Sujal essential oil
6 Chamomile, German chamomile, Gule-babuna Vallary Chamomilla recutita Vallary essential oil
7 Peppermint CIM-Indus Mentha piperita CIM-Indus essential oil
8 Chamomile, German chamomile, Gule-babuna CIM-Sammohak Chamomila recutita essential oil
9 Chamomile, German chamomile, Gule-babuna CIM-Sammohak Chamomila recutita essential oil
10 Chamomile, German chamomile, Gule-babuna Prasant Chamomilla recutita Prasant essential oil
11 Clarysage CIM-Chandni Salvia sclarea CIM-Chandni essential oil
12 French basil, Indian basil, Sweet basil CIM-Saumya Ocimum basilicum CIM-Saumya essential oil
13 French basil, Indian basil, Sweet basil Vikarsudha Ocimum basilicum vikarsudha essential oil
14 French basil, Indian basil, Sweet basil Kusumohak Ocimum basilicum Kusumohak essential oil
15 Spearmint Arka Mentha spicata Arka essential oil
16 Spearmint Neerkalka Mentha spicata Neerkalka essential oil
17 Geranium Pelargonium roseum essential oil
18 Geranium, Rose Scented Geranium CIM-BIO 171 Pelargonium graveolens CIM-BIO 171 essential oil
19 Geranium, Rose Scented Geranium CIM-Pawan Pelargonium graveolens CIM-Pawan essential oil
20 Geranium, Rose Scented Geranium Kelkar Pelargonium graveolens Kelkar essential oil
21 Rosemary CIM-Hariyali Rosmarinus officinali CIM-Hariyali essential oil
22 Lavendula angustifolia Sher-e-Kashmir Lavandula angustifolia sher-e-Kashmir essential oil
23 Lemongrass Cauvery Cymbopogon flexuosus Cauvery essential oil
24 Java Cittronella CIM-Jeeva Cymbopogon winterianus CIM-Jeeva essential oil
25 Java Cittronella CIMAP-Bio-13 Cymbopogon winterianus CIMAP-Bio-13 essential oil
26 Lemon grass Cymbopogan citratus essential oil
27 Cymbopogon Cymbopogon nardus essential oil
28 Curry tree Murraya koenigii essential oil
29 Holy basil Ocimum tenuiflorum essential oil
30 Horsechestnut Aesculus hippocastanum essential oil
31 Pot marigold, ruddles, common marigold, garden marigold, English marigold, or Scottish marigold Calendula officinalis essential oil
32 American wild mint Mentha essential canadensis essential oil
33 Garden Mint, Pudina Ganga Mentha Viridis essential oil
34 Garden Mint, Pudina Supriya Mentha Viridis Supriya essential oil
35 Sweet wormwood, Quinghao CIM-Arogya Artemisia annua CIM-Arogya essential oil
36 Java Cittronella Mandakni Cymbopogon winterianus Mandakni essential oil
37 Java Cittronella Manjari Cymbopogon winterianus Manjari essential oil
38 Java Cittronella Manjusha Cymbopogon winterianus Manjusha essential oil
39 Lemongrass Chirharit Cymbopogon flexuosus Chirharit essential oil
40 Lemongrass CIMAP-Suwarna Cymbopogon flexuosus CIMAP-Suwarna essential oil
41 Lemongrass GRL-1 Cymbopogon flexuosus GRL-1 essential oil
42 Lemongrass Nima Cymbopogon flexuosus Nima essential oil
43 Lemongrass Krishna Cymbopogon flexuosus krishna essential oil
44 Lemongrass Praman Cymbopogon flexuosus praman essential oil
45 Lemongrass T-1 Cymbopogon flexuosus T-1 essential oil
46 Java Cittronella Jalpallavi Cymbopogon winterianus Jalpallavi essential oil
47 Tegetes Vanphool Tagetes minuta Vanphool essential oil
48 Levisticum officinalis Levisticum aofficinalis essential oil
49 Languas galanga Alpinia galanga essential oil
50 Kuth Saussurea lappa essential oil
51 Oregano Origanum vulgare essential oil
52 Garden angelica Angelica archangelican essential oil
53 Gum rockrose Cistus ladanifer essential oil
54 Gum rockrose Cistus ladanifer ESSENTIAL OIL
55 Myrtle Myrtus communis essential oil
56 Blackcurrant Ribes nigrum essential oil
57 Lemon balm Melissa officinalis essential oil
58 Horse Mint Mentha longifolia essential oil
59 Clove nutmeg Ravensara aromatica essential oil
60 Snowbell styrax officinalis essential oil
61 Bay laurel, Sweet bay, Bay tree Laurus nobilis essential oil
62 Hyssopus Hyssopus officinalis essential oil
63 Cummin Cuminum cyminum essential oil
64 Mexican pepperleaf Piper auritum essential oil
65 Mexican pepperleaf Piper auritum essential oil
66 Garden heliotrope Heliotropium floridum essential oil
67 Crimson beebalm, Scarlet beebalm Crimson beebalm essential oil
68 Pistachio Pistacia vera essential oil
69 Bulgarian fir Abies borisii-regis essential oil
70 Abies cephalonica Abies cephalonica essential oil
71 silver fir Abies alba essential oil
72 Abies sachalinensis Abies sachalinensis essential oil
73 Aromita Acacia caven essential oil
74 Shampoo ginger. Bitter ginger Zingiber zerumbet essential oil
75 sweet yarrow Achillea ageratum essential oil
76 Aframomum stipulatum Aframomum stipulatum
77 Lemon verbena Aloysia citrodora essential oil
78 Amyris elimifera Amyris elimifera essential oil
79 Anethum graveolens Anethum graveolens essential oil
80 Holy Ghost Angelica archangelica essential oil
81 Sitafal Annona cherimola essential oil
82 Sitafal Annona cherimola essential oil
83 Sitafal Annona cherimola essential oil
84 Custard apple Annona reticulata essential oil
85 Jamun Syzygium cordatum essential oil
86 Bushkiller Cayratia japonica essential oil
87 Bushkiller Cayratia japonica essential oil
88 Bramhi Centella asiatica essential oil
89 Bramhi Centella asiatica essential oil
90 Chaerophyllum villosum Chaerophyllum villosum essential oil
91 Chaerophyllum villosum Chaerophyllum villosum essential oil
92 Chrysanthemum coronarium Chrysanthemum indicum essential oil
93 Chikras Chukrasia tabularis essential oil
94 Coriandrum Sativum Coriandrum sativum essential oil
95 Coriandrum Sativum Coriandrum sativum essential oil
96 Cupressus sempervirens Cupressus sempervirens essential oil
97 Wild carrot Daucus carota ssp. carota essential oil
98 Wild carrot Daucus carota essential oil
99 Dracocephalum moldavica NA
100 Southern blue-gum Eucalyptus globulus essential oil
101 Pitanga Eugenia uniflora essential oil
102 Matricaria chamomilla Matricaria chamomilla essential oil

Compound Image


2D Structure

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