AromaDb: A Database of Plant's Aroma Molecules

(E)-Beta-Farnesene Details

: IUPAC Name
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
:Chemical Class
Sesquiterpene
:CAS Registry Number
18794-84-8
:Description

Trans-beta-farnesene, also known as (e)-b-Farnesene or (e)-7, 11-Dimethyl-3-methylenedodeca-1, 6, 10-triene, is classified as a member of the Sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Trans-beta-farnesene is a hydrocarbon lipid molecule.

:Fragrance Type
citrus

Physical and Chemical properties

PUBCHEM ID5281517
Molecular Weight (mg/mol)204.351
Molecular FormulaC15H24
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count7
IUPAC Name(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
Canonical SMILESC=CC(=C)CC/C=C(C)/CC/C=C(C)/C
PUBCHEM IUPAC INCHIKEYJSNRRGGBADWTMC-NTCAYCPXSA-N
Solubility Level2
Vapour Pressure-1.8

Absorption and Metabolism information

XLOGP3 AA6.2
CACTVS TPSA0
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP985.514
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 LD505.75277 g/kg_body_weight
Ocular IrritancyNone
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 18794-84-8 NA NA NA NA NA
2 18794-84-8 NA NA NA NA NA
3 18794-84-8 NA NA NA NA NA
4 18794-84-8 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 18794-84-8 (E)-Beta-Farnesene

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 French basil, Indian basil, Sweet basil CIM-Sharada Ocimum basilicum CIM-Sharada essential oil
2 Hook Cymbopogon microstachys essential oil
3 Hornem Ocimum ciliatum essential oil
4 American wild mint Mentha essential canadensis essential oil
5 Chandan Santalum album essential oil
6 Sweet wormwood, Quinghao CIM-Arogya Artemisia annua CIM-Arogya essential oil
7 Sweet wormwood, Quinghao Jeevanraksha Artemisia annua Jeevanraksha essential oil
8 Lemongrass Praman Cymbopogon flexuosus praman essential oil
9 Southern magnolia Magnolia grandiflora essential oil
10 Horse Mint Mentha longifolia essential oil
11 Broadleaved lavender, spike lavender or Portuguese lavender Lavandula latifolia essential oil
12 Common hop Humulus lupulus essential oil
13 Henna Lawsonia inermis essential oil
14 Shampoo ginger. Bitter ginger Zingiber zerumbet essential oil
15 sweet yarrow Achillea ageratum essential oil
16 Goatweed Ageratum conyzoides essential oil
17 Yellow bugle Ajuga chamaepitys essential oil
18 Star Thistle Honey Centaurea calcitrapa essential oil
19 Star Thistle Honey Centaurea calcitrapa essential oil
20 Centratherum punctatum Centratherum punctatum essential oil
21 Centratherum punctatum Centratherum punctatum essential oil
22 Fireweed Crassocephalum crepidioides essential oil
23 Fireweed Crassocephalum crepidioides essential oil
24 Courbaril Hymenaea courbaril essential oil
25 Wild carrot Daucus carota ssp. carota essential oil
26 White horehound Marrubium vulgare essential oil
27 Matricaria chamomilla Matricaria chamomilla essential oil

Compound Image


2D Structure

Download




Download Sdf File Download PDB File Download MOL File
View Similar Structures
(External database - ChemAxon)