AromaDb: A Database of Plant's Aroma Molecules

Linalool Details

: IUPAC Name
3,7-dimethylocta-1,6-dien-3-ol
:Chemical Class
Monoterpene
:CAS Registry Number
78-70-6
:Description

:Fragrance Type
lavender

Physical and Chemical properties

PUBCHEM ID6549
Molecular Weight (mg/mol)154.249
Molecular FormulaC10H18O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
IUPAC Name3,7-dimethylocta-1,6-dien-3-ol
Canonical SMILESC=CC(C)(O)CC/C=C(C)/C
PUBCHEM IUPAC INCHIKEYCDOSHBSSFJOMGT-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-0.924

Absorption and Metabolism information

XLOGP3 AA2.7
CACTVS TPSA20.2
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.735
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD501.37687 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human GenesHMGCR, TP53, SREBF2, DRD1, DRD2

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 78-70-6 ACHE Electrophorus electricus linalool results in increased activity of ACHE protein increases^activity 25636489
2 78-70-6 AKR1C2 Homo sapiens linalool results in increased expression of AKR1C2 mRNA increases^expression 20491607
3 78-70-6 AKT1 Homo sapiens linalool results in increased expression of AKT1 mRNA increases^expression 19922762
4 78-70-6 ALAS2 Rattus norvegicus linalool results in decreased expression of ALAS2 mRNA decreases^expression 20536181
5 78-70-6 APH1B Rattus norvegicus linalool results in decreased expression of APH1B mRNA decreases^expression 20536181
6 78-70-6 ATF2 Homo sapiens linalool results in increased expression of ATF2 mRNA increases^expression 19922762
7 78-70-6 BAX Homo sapiens linalool results in increased expression of BAX mRNA increases^expression 26703569
8 78-70-6 BIRC2 Homo sapiens linalool results in increased expression of BIRC2 mRNA increases^expression 19922762
9 78-70-6 BIRC3 Homo sapiens linalool results in increased expression of BIRC3 mRNA increases^expression 19922762
10 78-70-6 CASP3 Homo sapiens linalool results in increased expression of CASP3 mRNA increases^expression 26703569
11 78-70-6 CASP8 Homo sapiens linalool results in increased expression of CASP8 mRNA increases^expression 26703569
12 78-70-6 CASP9 Homo sapiens linalool results in increased expression of CASP9 mRNA increases^expression 26703569
13 78-70-6 CDH1 Homo sapiens linalool results in increased expression of CDH1 mRNA increases^expression 26703569
14 78-70-6 CDKN1A Homo sapiens linalool results in increased expression of CDKN1A mRNA increases^expression 19922762|26703569
15 78-70-6 CDKN1B Homo sapiens linalool results in increased expression of CDKN1B mRNA increases^expression 19922762
16 78-70-6 CDKN1C Homo sapiens linalool results in increased expression of CDKN1C mRNA increases^expression 19922762
17 78-70-6 CDKN2A Homo sapiens linalool results in increased expression of CDKN2A mRNA increases^expression 26703569
18 78-70-6 CDKN2B Homo sapiens linalool results in increased expression of CDKN2B mRNA increases^expression 19922762
19 78-70-6 CDKN2C Homo sapiens linalool results in increased expression of CDKN2C mRNA increases^expression 26703569
20 78-70-6 CEBPB Rattus norvegicus linalool results in increased expression of CEBPB mRNA increases^expression 20536181
21 78-70-6 CEBPD Rattus norvegicus linalool results in increased expression of CEBPD mRNA increases^expression 20536181
22 78-70-6 COL10A1 Rattus norvegicus linalool results in increased expression of COL10A1 mRNA increases^expression 20536181
23 78-70-6 CSN2 Homo sapiens linalool results in increased expression of CSN2 mRNA increases^expression 19922762
24 78-70-6 CTSD Homo sapiens linalool results in increased expression of CTSD mRNA increases^expression 19922762
25 78-70-6 CYP1A1 Homo sapiens linalool results in increased expression of CYP1A1 mRNA increases^expression 20491607
26 78-70-6 DNAJB1 Rattus norvegicus linalool results in increased expression of DNAJB1 mRNA increases^expression 20536181
27 78-70-6 EDN1 Homo sapiens linalool results in increased expression of EDN1 mRNA increases^expression 19922762
28 78-70-6 EGFR Homo sapiens linalool results in increased expression of EGFR mRNA increases^expression 19922762
29 78-70-6 FN1 Homo sapiens linalool results in increased expression of FN1 mRNA increases^expression 19922762
30 78-70-6 FOS Rattus norvegicus linalool results in increased expression of FOS mRNA increases^expression 20536181
31 78-70-6 GABBR1 Rattus norvegicus linalool results in increased expression of GABBR1 mRNA increases^expression 20536181
32 78-70-6 GABRA1 Bos taurus linalool promotes the reaction [gamma-Aminobutyric Acid results in increased activity of [GABRA1 protein co-treated with GABRB1 protein]] affects^cotreatment|increases^activity|increases^reaction 16569037
33 78-70-6 GADD45A Homo sapiens linalool results in increased expression of GADD45A mRNA increases^expression 19922762
34 78-70-6 GADD45A Homo sapiens linalool results in increased expression of GADD45A protein increases^expression 19922762
35 78-70-6 GCLC Homo sapiens linalool results in increased expression of GCLC mRNA increases^expression 20491607
36 78-70-6 HBB Rattus norvegicus linalool results in decreased expression of HBB mRNA decreases^expression 20536181
37 78-70-6 HMGCR Homo sapiens linalool inhibits the reaction [KAT2B protein binds to HMGCR promoter] affects^binding|decreases^reaction 21944868
38 78-70-6 HMGCR Homo sapiens linalool inhibits the reaction [SREBF2 protein binds to HMGCR promoter] affects^binding|decreases^reaction 21944868
39 78-70-6 HMGCR Homo sapiens linalool results in decreased expression of and results in increased ubiquitination of HMGCR protein decreases^expression|increases^ubiquitination 21944868
40 78-70-6 HMGCR Homo sapiens linalool results in decreased expression of HMGCR mRNA decreases^expression 21944868
41 78-70-6 HMGCR Homo sapiens linalool results in decreased expression of HMGCR protein decreases^expression 24613879
42 78-70-6 HOMER1 Rattus norvegicus linalool results in increased expression of HOMER1 mRNA increases^expression 20536181
43 78-70-6 HSF1 Homo sapiens linalool results in increased expression of HSF1 mRNA increases^expression 19922762
44 78-70-6 HSP90AA1 Homo sapiens linalool results in increased expression of HSP90AA1 mRNA increases^expression 19922762
45 78-70-6 HSPA1L Rattus norvegicus linalool results in increased expression of HSPA1L mRNA increases^expression 20536181
46 78-70-6 HSPA4 Homo sapiens linalool results in increased expression of HSPA4 mRNA increases^expression 19922762
47 78-70-6 HSPB1 Rattus norvegicus linalool results in increased expression of HSPB1 mRNA increases^expression 20536181
48 78-70-6 HSPB2 Homo sapiens linalool results in increased expression of HSPB2 mRNA increases^expression 19922762
49 78-70-6 HSPH1 Rattus norvegicus linalool results in increased expression of HSPH1 mRNA increases^expression 20536181
50 78-70-6 ID2 Homo sapiens linalool results in increased expression of ID2 mRNA increases^expression 19922762
51 78-70-6 INSIG1 Homo sapiens linalool results in increased expression of INSIG1 protein increases^expression 21944868
52 78-70-6 JUN Homo sapiens linalool results in increased expression of JUN protein increases^expression 19922762
53 78-70-6 LDLR Ovis aries linalool affects the activity of LDLR protein affects^activity 15663186
54 78-70-6 MARCKS Rattus norvegicus linalool results in increased expression of MARCKS mRNA increases^expression 20536181
55 78-70-6 MDM2 Homo sapiens linalool results in increased expression of MDM2 mRNA increases^expression 19922762
56 78-70-6 MMP9 Homo sapiens linalool results in increased expression of MMP9 mRNA increases^expression 26703569
57 78-70-6 MPZ Rattus norvegicus linalool results in decreased expression of MPZ mRNA decreases^expression 20536181
58 78-70-6 MYC Homo sapiens linalool results in increased expression of MYC mRNA increases^expression 19922762
59 78-70-6 NFKB1 Homo sapiens linalool results in increased expression of NFKB1 mRNA increases^expression 19922762
60 78-70-6 NPY Homo sapiens linalool results in increased expression of NPY protein increases^expression 22757684
61 78-70-6 NPY Rattus norvegicus linalool results in increased expression of NPY mRNA increases^expression 22757684
62 78-70-6 PSMD9 Homo sapiens linalool results in increased expression of PSMD9 mRNA increases^expression 26703569
63 78-70-6 PXMP4 Rattus norvegicus linalool results in decreased expression of PXMP4 mRNA decreases^expression 20536181
64 78-70-6 RGD1310127 Rattus norvegicus linalool results in increased expression of RGD1310127 mRNA increases^expression 20536181
65 78-70-6 RGS5 Rattus norvegicus linalool results in increased expression of RGS5 mRNA increases^expression 20536181
66 78-70-6 S100A9 Rattus norvegicus linalool results in decreased expression of S100A9 mRNA decreases^expression 20536181
67 78-70-6 SLC6A3 Rattus norvegicus linalool results in decreased expression of SLC6A3 mRNA decreases^expression 20536181
68 78-70-6 SOX11 Rattus norvegicus linalool results in increased expression of SOX11 mRNA increases^expression 20536181
69 78-70-6 SREBF2 Homo sapiens linalool results in decreased expression of SREBF2 mRNA decreases^expression 21944868
70 78-70-6 SREBF2 Homo sapiens linalool results in decreased expression of SREBF2 protein decreases^expression 21944868
71 78-70-6 TH Rattus norvegicus linalool results in decreased expression of TH mRNA decreases^expression 20536181
72 78-70-6 TP53 Homo sapiens linalool results in increased expression of TP53 mRNA increases^expression 26703569
73 78-70-6 TP53 Homo sapiens linalool results in increased expression of TP53 protein increases^expression 19922762
74 78-70-6 TP53 Homo sapiens TP53 results in increased susceptibility to linalool increases^response to substance 19922762
75 78-70-6 TSHB Rattus norvegicus linalool results in decreased expression of TSHB mRNA decreases^expression 20536181
76 78-70-6 TXN Homo sapiens linalool results in increased expression of TXN mRNA increases^expression 20491607
77 78-70-6 VOF16 Rattus norvegicus linalool results in increased expression of VOF16 mRNA increases^expression 20536181
78 78-70-6 WNT1 Homo sapiens linalool results in increased expression of WNT1 mRNA increases^expression 19922762
79 78-70-6 WSB1 Homo sapiens linalool results in increased expression of WSB1 mRNA increases^expression 19922762
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 78-70-6 Linalool

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Menthol mint, Corn mint, Japanese mint MAS-1 Mentha arvensis MAS-1 essential oil
2 Menthol mint, Corn mint, Japanese mint Damroo Mentha arvensis Damroo essential oil
3 Menthol mint, Corn mint, Japanese mint Himalaya Mentha arvensis Himalaya essential oil
4 Menthol mint, Corn mint, Japanese mint Kosi Mentha arvensis Kosi essential oil
5 Menthol mint, Corn mint, Japanese mint Kalka Mentha arvensis Kalka essential oil
6 Menthol mint, Corn mint, Japanese mint Saksham Mentha arvensis Saksham essential oil
7 Menthol mint, Corn mint, Japanese mint Sambhav Mentha arvensis Sambhav essential oil
8 Menthol mint, Corn mint, Japanese mint Kushal Mentha arvensis Kushal essential oil
9 Sweet flag, Vach, Bhoja CIM-Balya Acorus calamus CIM-Balya essential oil
10 Bergot mint Kiran Mentha citrata Kiran 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 CIM-Sharada Ocimum basilicum CIM-Sharada essential oil
15 French basil, Indian basil, Sweet basil Kusumohak Ocimum basilicum Kusumohak essential oil
16 Spearmint Neera Mentha spicata Neera essential oil
17 Geranium Pelargonium roseum essential oil
18 Geranium, Rose Scented Geranium CIM-Pawan Pelargonium graveolens CIM-Pawan essential oil
19 Geranium, Rose Scented Geranium CIM-BIO 171 Pelargonium graveolens CIM-BIO 171 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 Dusky Geranium phaeum essential oil
24 Lemon grass Cymbopogan citratus essential oil
25 Hook Cymbopogon microstachys essential oil
26 Cymbopogon Cymbopogon nardus essential oil
27 Curry tree Murraya koenigii essential oil
28 Hornem Ocimum ciliatum essential oil
29 Holy basil Ocimum tenuiflorum essential oil
30 Starflower Borago officinalis essential oil
31 Mulethi Mishri Glucyrrhiza glabra mulethi essential oil
32 Jasmin Jasminum sambac essential oil
33 American wild mint Mentha essential canadensis essential oil
34 Lemon beebalm, Lemon mint Monarda citriodora essential oil
35 Menthol mint, Corn mint, Japanese mint CIM-Saryu Mentha arvensis CIM-Saryu essential oil
36 Sweet wormwood, Quinghao CIM-Arogya Artemisia annua CIM-Arogya essential oil
37 Sweet wormwood, Quinghao Jeevanraksha Artemisia annua Jeevanraksha 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 Nima Cymbopogon flexuosus Nima essential oil
42 Lemongrass Krishna Cymbopogon flexuosus krishna essential oil
43 Lemongrass Praman Cymbopogon flexuosus praman essential oil
44 Lemongrass T-1 Cymbopogon flexuosus T-1 essential oil
45 Java Cittronella Medini Cymbopogon winterianus Medni essential oil
46 Rose, Damask Rose Noorjahan Rosa damascena Noorjahan essential oil
47 Rose, Damask Rose Ranisahiba Rose Ranisahiba essential oil
48 Tegetes Vanphool Tagetes minuta Vanphool essential oil
49 Languas galanga Alpinia galanga essential oil
50 Kuth Saussurea lappa essential oil
51 Periwinkle, Sadabahar, Sadafuli Dhawal Catharanthus roseus dhawal essential oil
52 Sweet violet Viola odorata essential oil
53 Myrtle Myrtus communis essential oil
54 Clove basil, African basil Ocimum gratissimum essential oil
55 Roth Limnophila rugosa essential oil
56 Lemon balm Melissa officinalis essential oil
57 Horse Mint Mentha longifolia essential oil
58 Broadleaved lavender, spike lavender or Portuguese lavender Lavandula latifolia 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 Balinese Cananga odorata essential oil
63 Common hop Humulus lupulus essential oil
64 Cummin Cuminum cyminum essential oil
65 Common yarrow Achillea millefolium essential oil
66 Mexican pepperleaf Piper auritum essential oil
67 Mexican pepperleaf Piper auritum essential oil
68 Henna Lawsonia inermis essential oil
69 Frangipani Plumeria obtusa essential oil
70 Frangipani Plumeria obtusa essential oil
71 Crimson beebalm, Scarlet beebalm Crimson beebalm essential oil
72 Bulgarian fir Abies borisii-regis essential oil
73 Abies cephalonica Abies cephalonica essential oil
74 silver fir Abies alba essential oil
75 Shampoo ginger. Bitter ginger Zingiber zerumbet essential oil
76 Ginger Zingiber officinale essential oil
77 sweet yarrow Achillea ageratum essential oil
78 Goatweed Ageratum conyzoides essential oil
79 Golden trumpet Allamanda cathartica essential oil
80 Lemon verbena Aloysia citrodora essential oil
81 Amyris elimifera Amyris elimifera essential oil
82 Anethum graveolens Anethum graveolens essential oil
83 Jamun Syzygium cordatum essential oil
84 Bushkiller Cayratia japonica essential oil
85 Bushkiller Cayratia japonica essential oil
86 Star Thistle Honey Centaurea calcitrapa essential oil
87 Star Thistle Honey Centaurea calcitrapa essential oil
88 Chaerophyllum villosum Chaerophyllum villosum essential oil
89 Chaerophyllum villosum Chaerophyllum villosum essential oil
90 Coriandrum Sativum Coriandrum sativum essential oil
91 Coriandrum Sativum Coriandrum sativum essential oil
92 Fireweed Crassocephalum crepidioides essential oil
93 Fireweed Crassocephalum crepidioides essential oil
94 Narrow-leaved turmeric Curcuma angustifolia essential oil
95 Wild carrot Daucus carota ssp. carota essential oil
96 Dracocephalum moldavica NA
97 Elsholtzia blanda Elsholtzia blanda essential oil
98 Satureja hortensis Satureja hortensis essential oil
99 White horehound Marrubium vulgare essential oil
100 Hibiscus surattensis Hibiscus surattensis essential oil
101 Southern blue-gum Eucalyptus globulus essential oil

Compound Image


2D Structure

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