AromaDb: A Database of Plant's Aroma Molecules

Myrcene Details

: IUPAC Name
7-methyl-3-methylideneocta-1,6-diene
:Chemical Class
Monoterpene
:CAS Registry Number
123-35-3
:Description

:Fragrance Type
balsamic

Physical and Chemical properties

PUBCHEM ID31253
Molecular Weight (mg/mol)136.234
Molecular FormulaC10H16
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
IUPAC Name7-methyl-3-methylideneocta-1,6-diene
Canonical SMILESC=CC(=C)CC/C=C(C)/C
PUBCHEM IUPAC INCHIKEYUAHWPYUMFXYFJY-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure0.277

Absorption and Metabolism information

XLOGP3 AA4.3
CACTVS TPSA0
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP983.688
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD503.89592 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human GenesEHHADH

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
1 123-35-3 GSR beta-myrcene results in increased expression of GSR protein increases^expression 24480520
2 123-35-3 GSR beta-myrcene results in increased expression of GSR protein increases^expression 24480520
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 123-35-3 Myrcene

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Peppermint CIM-Madhuras Mentha piperita CIm-Madhuras essential oil
2 Fennel, Saunf CIM-sujal Foeniculum vulgare CIM-Sujal essential oil
3 Peppermint CIM-Indus Mentha piperita CIM-Indus essential oil
4 Chamomile, German chamomile, Gule-babuna Prasant Chamomilla recutita Prasant essential oil
5 Clarysage CIM-Chandni Salvia sclarea CIM-Chandni essential oil
6 Spearmint Neerkalka Mentha spicata Neerkalka essential oil
7 Geranium, Rose Scented Geranium CIM-BIO 171 Pelargonium graveolens CIM-BIO 171 essential oil
8 Geranium, Rose Scented Geranium CIM-Pawan Pelargonium graveolens CIM-Pawan essential oil
9 Geranium, Rose Scented Geranium Kelkar Pelargonium graveolens Kelkar essential oil
10 Rosemary CIM-Hariyali Rosmarinus officinali CIM-Hariyali essential oil
11 Lavendula angustifolia Sher-e-Kashmir Lavandula angustifolia sher-e-Kashmir essential oil
12 Lemongrass Cauvery Cymbopogon flexuosus Cauvery essential oil
13 Java Cittronella CIM-Jeeva Cymbopogon winterianus CIM-Jeeva essential oil
14 Java Cittronella CIMAP-Bio-13 Cymbopogon winterianus CIMAP-Bio-13 essential oil
15 Lemon grass Cymbopogan citratus essential oil
16 Hook Cymbopogon microstachys essential oil
17 Curry tree Murraya koenigii essential oil
18 Holy basil Ocimum tenuiflorum essential oil
19 Pot marigold, ruddles, common marigold, garden marigold, English marigold, or Scottish marigold Calendula officinalis essential oil
20 American wild mint Mentha essential canadensis essential oil
21 Lemon beebalm, Lemon mint Monarda citriodora essential oil
22 Oliveria Oliveria decumbens essential oil
23 Clarysage Salvia officinalis essential oil
24 Sweet wormwood, Quinghao Jeevanraksha Artemisia annua Jeevanraksha essential oil
25 Java Cittronella Mandakni Cymbopogon winterianus Mandakni essential oil
26 Java Cittronella Manjari Cymbopogon winterianus Manjari essential oil
27 Lemongrass Chirharit Cymbopogon flexuosus Chirharit essential oil
28 Lemongrass CIMAP-Suwarna Cymbopogon flexuosus CIMAP-Suwarna essential oil
29 Lemongrass GRL-1 Cymbopogon flexuosus GRL-1 essential oil
30 Lemongrass T-1 Cymbopogon flexuosus T-1 essential oil
31 Water dropwort Oenanthe crocata essential oil
32 Water dropwort Oenanthe crocata essential oil
33 Languas galanga Alpinia galanga essential oil
34 American pepper Schinus molle essential oil
35 Oregano Origanum vulgare essential oil
36 Garden angelica Angelica archangelican essential oil
37 Myrtle Myrtus communis essential oil
38 Clove basil, African basil Ocimum gratissimum essential oil
39 Horse Mint Mentha longifolia essential oil
40 Broadleaved lavender, spike lavender or Portuguese lavender Lavandula latifolia essential oil
41 Bay laurel, Sweet bay, Bay tree Laurus nobilis essential oil
42 Common hop Humulus lupulus essential oil
43 Mexican pepperleaf Piper auritum essential oil
44 Mexican pepperleaf Piper auritum essential oil
45 Crimson beebalm, Scarlet beebalm Crimson beebalm essential oil
46 Bulgarian fir Abies borisii-regis essential oil
47 Abies cephalonica Abies cephalonica essential oil
48 silver fir Abies alba essential oil
49 Abies sachalinensis Abies sachalinensis essential oil
50 Shampoo ginger. Bitter ginger Zingiber zerumbet essential oil
51 Aframomum stipulatum Aframomum stipulatum
52 Amyris elimifera Amyris elimifera essential oil
53 Anethum graveolens Anethum graveolens essential oil
54 Holy Ghost Angelica archangelica essential oil
55 Sitafal Annona cherimola essential oil
56 Sitafal Annona cherimola essential oil
57 Sitafal Annona cherimola essential oil
58 Custard apple Annona reticulata essential oil
59 Bottlebrushes Callistemon citrinus essential oil
60 Jamun Syzygium cordatum essential oil
61 Bramhi Centella asiatica essential oil
62 Bramhi Centella asiatica essential oil
63 Chaerophyllum villosum Chaerophyllum villosum essential oil
64 Chaerophyllum villosum Chaerophyllum villosum essential oil
65 Chrysanthemum coronarium Chrysanthemum indicum essential oil
66 Mums Chrysanthemum indicum essential oil
67 Chikras Chukrasia tabularis essential oil
68 Coriandrum Sativum Coriandrum sativum essential oil
69 Coriandrum Sativum Coriandrum sativum essential oil
70 Fireweed Crassocephalum crepidioides essential oil
71 Fireweed Crassocephalum crepidioides essential oil
72 Wild carrot Daucus carota ssp. carota essential oil
73 Wild carrot Daucus carota essential oil
74 Satureja hortensis Satureja hortensis essential oil
75 Southern blue-gum Eucalyptus globulus essential oil
76 Pitanga Eugenia uniflora essential oil

Compound Image


2D Structure

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