AromaDb: A Database of Plant's Aroma Molecules

(E)-Nerolidol Details

: IUPAC Name
(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
:Chemical Class
Sesquiterpene
:CAS Registry Number
3790-78-1
:Description

:Fragrance Type
rose

Physical and Chemical properties

PUBCHEM ID5320128
Molecular Weight (mg/mol)222.366
Molecular FormulaC15H26O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
IUPAC Name(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
Canonical SMILESC=CC(C)(O)CC/C=C(C)/CC/C=C(C)/C
PUBCHEM IUPAC INCHIKEYFQTLCLSUCSAZDY-KAMYIIQDSA-N
Solubility Level3
Vapour Pressure-2.905

Absorption and Metabolism information

XLOGP3 AA4.6
CACTVS TPSA20.2
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP984.561
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD503.19125 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 3790-78-1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 3790-78-1 (E)-Nerolidol

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Menthol mint, Corn mint, Japanese mint Gomti Mentha arvensis Gomti essential oil
2 Menthol mint, Corn mint, Japanese mint MAS-1 Mentha arvensis MAS-1 essential oil
3 Menthol mint, Corn mint, Japanese mint Damroo Mentha arvensis Damroo essential oil
4 Menthol mint, Corn mint, Japanese mint Himalaya Mentha arvensis Himalaya essential oil
5 Menthol mint, Corn mint, Japanese mint Kosi Mentha arvensis Kosi essential oil
6 Menthol mint, Corn mint, Japanese mint Kalka Mentha arvensis Kalka essential oil
7 Menthol mint, Corn mint, Japanese mint Saksham Mentha arvensis Saksham essential oil
8 Menthol mint, Corn mint, Japanese mint Sambhav Mentha arvensis Sambhav essential oil
9 Menthol mint, Corn mint, Japanese mint Kushal Mentha arvensis Kushal essential oil
10 Chamomile, German chamomile, Gule-babuna CIM-Sammohak Chamomila recutita essential oil
11 Chamomile, German chamomile, Gule-babuna CIM-Sammohak Chamomila recutita essential oil
12 Chamomile, German chamomile, Gule-babuna Prasant Chamomilla recutita Prasant essential oil
13 French basil, Indian basil, Sweet basil CIM-Sharada Ocimum basilicum CIM-Sharada essential oil
14 Lavendula angustifolia Sher-e-Kashmir Lavandula angustifolia sher-e-Kashmir essential oil
15 Hook Cymbopogon microstachys essential oil
16 Cymbopogon Cymbopogon nardus essential oil
17 Curry tree Murraya koenigii essential oil
18 Chandan Santalum album essential oil
19 Menthol mint, Corn mint, Japanese mint CIM-Kranti Mentha arvensis CIM-Kranti essential oil
20 Menthol mint, Corn mint, Japanese mint CIM-Saryu Mentha arvensis CIM-Saryu essential oil
21 Kuth Saussurea lappa essential oil
22 Lemon balm Melissa officinalis essential oil
23 Frangipani Plumeria obtusa essential oil
24 Frangipani Plumeria obtusa essential oil
25 Shampoo ginger. Bitter ginger Zingiber zerumbet essential oil
26 Ginger Zingiber officinale essential oil
27 Goatweed Ageratum conyzoides essential oil
28 Yellow bugle Ajuga chamaepitys essential oil
29 Golden trumpet Allamanda cathartica essential oil
30 Lemon verbena Aloysia citrodora essential oil
31 Sitafal Annona cherimola essential oil
32 Sitafal Annona cherimola essential oil
33 Sitafal Annona cherimola essential oil
34 Custard apple Annona reticulata essential oil
35 Hibiscus surattensis Hibiscus surattensis essential oil

Compound Image


2D Structure

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(External database - ChemAxon)