AromaDb: A Database of Plant's Aroma Molecules

Beta-Cubebene Details

: IUPAC Name
NA
:Chemical Class
Sesquiterpene
:CAS Registry Number
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID93081
Molecular Weight (mg/mol)204.351
Molecular FormulaC15H24
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
IUPAC Name
Canonical SMILESC=C2CCC13C(C)CCC(C(C)C)C1C23
PUBCHEM IUPAC INCHIKEYFSRZGYRCMPZNJF-KHMAMNHCSA-N
Solubility Level2
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA4.7
CACTVS TPSA0
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP984.222
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 LD501.04383 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction1
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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 Beta-Cubebene

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 Sweet flag, Vach, Bhoja CIM-Balya Acorus calamus CIM-Balya essential oil
11 Bergot mint Kiran Mentha citrata Kiran essential oil
12 Pot marigold, ruddles, common marigold, garden marigold, English marigold, or Scottish marigold Calendula officinalis essential oil
13 Menthol mint, Corn mint, Japanese mint CIM-Kranti Mentha arvensis CIM-Kranti essential oil
14 Menthol mint, Corn mint, Japanese mint CIM-Saryu Mentha arvensis CIM-Saryu essential oil
15 Sweet wormwood, Quinghao CIM-Arogya Artemisia annua CIM-Arogya essential oil
16 Sweet wormwood, Quinghao Jeevanraksha Artemisia annua Jeevanraksha essential oil
17 Bay Pimenta Racemosa essential oil
18 Golden trumpet Allamanda cathartica essential oil
19 Anaphalis contorta Anaphalis contorta essential oil
20 Chikras Chukrasia tabularis essential oil

Compound Image


2D Structure

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(External database - ChemAxon)