(−)-α-thujone (Q421838)

alpha-Thujone (English)

3 October 2016

1 reference

1 reference

1 reference

1 reference

(1R,4R,5S)-thujan-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₀H₁₆O

1 reference

alpha-Thujone (English)

19 November 2016

canonical SMILES

CC1C2CC2(CC1=O)C(C)C

1 reference

alpha-Thujone (English)

19 November 2016

isomeric SMILES

C[C@@H]1[C@H]2C[C@]2(CC1=O)C(C)C

1 reference

The Politics of Khat Control

alpha-Thujone (English)

19 November 2016

1 reference

Artemisia jacutica

1 reference

A pharmacognostic study of Piscidia Erythrina

Artemisia tridentata

3 references

Variation of Monoterpenoid Content among Subspecies and Accessions of Artemisia tridentata Grown in a Uniform Garden

The monoterpenes of Artemisia tridentata ssp. vaseyana, Artemisia cana ssp. viscidula and Artemisia tridentata ssp. spiciformis

Terpenes in the essential oil of sagebrush (Artemisia tridentata)

Artemisia halophila

1 reference

The essential oil of Artemisia capillaris

Artemisia moorcroftiana

1 reference

The essential oil of artemisia moorcroftiana wall

Achillea erba-rotta

1 reference

Essential Oils and Chromosome Numbers From ItalianAchilleaSpecies

Achillea moschata

1 reference

Essential Oils and Chromosome Numbers From ItalianAchilleaSpecies

Achillea nana

1 reference

Essential Oils and Chromosome Numbers From ItalianAchilleaSpecies

Achillea nobilis

1 reference

Essential Oils and Chromosome Numbers From ItalianAchilleaSpecies

Cleonia lusitanica

1 reference

The Essential Oil ofCleonia lusitanica

Salvia officinalis

13 references

Studies on the genotoxic properties of essential oils with Bacillus subtilis rec-assay and Salmonella/microsome reversion assay

The influence of Season and Harvest Frequency on Essential Oil and Herbal Yields from a Pure Clone of Sage (Salvia officinalis) Grown Under Cultivated Conditions

Seasonal Variation of Essential Oil Yield and Composition of Dalmatian Sage, Salvia officinalis

Composition of essential oil from Salvia officinalis L. of Iran

Quality Control of Folium Salviae by GC Analysis of the Essential Oil

Composition of essential oils from turkish Salvia species

Yields and Composition of Sage Oils from Different Regions of the Yugoslavian Adriatic Coast

Effect of Mineral Fertilizers on the Composition ofSalvia officinalisOil

Chemical Composition of Albanian Sage Oil (Salvia officinalisL.)

Dalmatian Sage. Part 1. Differing Oil Yields and Compositions from Flowering and Non-Flowering Accessions

Constituents of Essential Oils from ThreeSalviaSpecies

In-vitro activity of S. lavandulaefolia (Spanish sage) relevant to treatment of Alzheimer's disease

The Essential Oil of Salvia lavandulifolia Subspecies Oxyodon. A Study of its Vegetative Cycle

Thymus cilicicus

1 reference

The volatile oils of some endemic thymus species growing in southern anatolia

Thymus revolutus

1 reference

The volatile oils of some endemic thymus species growing in southern anatolia

Thymus sipyleus

1 reference

The volatile oils of some endemic thymus species growing in southern anatolia

Thymus zygioides

2 references

The volatile oils of some endemic thymus species growing in southern anatolia

Essential Oils from Four Chemotypes ofThymus zygioidesGriseb. var.lycaonicus(Celak) Ronniger

Achillea fragrantissima

1 reference

Volatiles of Achillea fragrantissima (Forssk.) Sch. Bip.

Artemisia szowitziana

1 reference

Composition of the essential oils of Artemesia fragrans, A. spicigera, and A. szowitziana

Tanacetum vulgare

5 references

Variations in the essential oils of Tanacetum vulgare

Substrate specificity of monoterpenol dehydrogenases from Foeniculum vulgare and Tanacetum vulgare

The Essential Oils ofTanacetum vulgare L. and Tanacetum parthenium (L.) Schultz-Bip

(+)-10 Hydroxy-3-thujone and Other Constituents from Essential Oil ofTanacetum vulgareL. from India

Chemotypes of tansy in Finland

Salvia pisidica

1 reference

Composition of the Essential Oil of Salvia atropatana Bunge

Artemisia vulgaris

2 references

α-Thujone, the Major Component of the Essential Oil from Artemisia vulgaris Growing Wild in Nilgiri Hills

Isolation and identification of mosquito repellents inArtemisia vulgaris

Thymus fedtschenkoi

1 reference

Volatile Oils of Thymus kotschyanus var. glabrescens and Thymus fedtschenkoi var. handelii

Juniperus foetidissima

1 reference

Variation in the Chemical Composition of the Leaf Oil juniperus foetidissima Willd.

Melaleuca linariifolia

1 reference

Differentiation between Melaleuca alternifolia and M. Linariifolia by monoterpenoid comparison

Melaleuca alternifolia

1 reference

Differentiation between Melaleuca alternifolia and M. Linariifolia by monoterpenoid comparison

marjoram

1 reference

Volatile Constituents of Origanum dubium Leaves and Stem-Bark

Salvia viscida

1 reference

Composition of the essential oil ofSalvia pisidica Boiss. et Heldr

Artemisia arborescens

2 references

Constituents of Essential Oil of Artemisia arborescens

The Essential Oils ofArtemisia‘Powis Castle’ and Its Putative Parents,A. absinthiumandA. arborescens

Artemisia sericea

2 references

Constituents of the Essential Oil of Artemisia coerulescens

Essential Oil fromA rtemisia coerulescens L. subsp. cretacea (Fiori) Br.-Catt. et Gubell.: Analytical Composition and New Constituents

Artemisia annua

1 reference

Terpenoids from Artemisia annua and constituents of its essential oil

Brucea javanica

1 reference

A New Monoterpene Lactone and Chemical Composition of Essential Oil ofBrucea jawanicaLeaves

Artemisia absinthium

3 references

Quantitative Determination of Some Essential Oil Components of SelectedArtemisia absinthiumPlants

cis-Chrysanthenol, A Main Component in Essential Oil ofArtemisia absinthiumL. Growing in Auvergne (Massif Central), France

The Essential Oils ofArtemisia‘Powis Castle’ and Its Putative Parents,A. absinthiumandA. arborescens

Salvia candidissima

1 reference

Composition of essential oils from turkish Salvia species

Salvia tomentosa

2 references

Composition of essential oils from turkish Salvia species

Constituents of Essential Oils from ThreeSalviaSpecies

Vitex agnus-castus

1 reference

The essential oil composition of Vitex agnus-castus f. rosea leaves and flowers

Commiphora gurreh

1 reference

Terpenoid composition of the wound-induced bark exudate of Commiphora tenuis from Ethiopia

Micromeria biflora

1 reference

Composition of the Essential Oil ofMicromeria biflora

Salvia pomifera

3 references

Contribution to the Study of the Essential Oils from Three Species of Salvia Growing Wild in the Eastern Mediterranean Region

Essential Oil of Salvia lereifolia Benth.

The Essential Oil of Salvia pomifera L.

Taxus canadensis

1 reference

The Essential Oil and Glycosidically Bound Volatile Compounds ofTaxus canadensisMarsh

Artemisia thuscula

1 reference

Essential Oil Composition ofArtemisia thusculaCav. from the Canary Islands

Thuja occidentalis

2 references

Contribution to the Study of the Essential Oil of Thuja occidentalis L.

Mono- and Diterpenes from Cell Cultures of Thuja occidentalis

Artemisia afra

1 reference

Unusual Essential Oils Grown in Oregon. I.Artemisia afrajacq.

Achillea millefolium

1 reference

An Ascaridole Containing Essential Oil of theAchillea millefoliumL. Complex Growing Wild in Northern Greece

Achillea grandifolia

1 reference

Volatile Constituents of Achillea grandifolia

Aloysia triphylla

2 references

Volatile Constituents ofAloysia triphylla(L'Herit.) Britton

Composition of Lemon Verbena (Aloysia triphylla(L'Herit.) Britton) Oil of Moroccan Origin

Cyclotrichium niveum

1 reference

The Essential Oil ofCyclotrichium niveum(Boiss.) Manden. et Scheng.

Rhododendron mucronulatum

1 reference

Essential oil ofRhododendron mucronulatum

Origanum vulgare

1 reference

Volatile constituents of Origanum vulgare ssp. viride (syn. O. heracleoticum) from Iran

Phlomis fruticosa

1 reference

Antimutagenic Activity of Essential Oil and Crude Extract of Phlomis fruticosa

Renealmia floribunda

1 reference

Essential oils of some Amazonian zingiberaceae, 3. Genera Alpinia and Rengalmia

Tanacetum millefolium

1 reference

The Essential Oil from Tanacetum millefolium

Thymus carnosus

1 reference

Constituents of essential oil of Thymus carnosus Boiss.

Achillea abrotanoides

1 reference

Volatile constituents of Achillea abrotanoides in relation to their infrageneric variation

Artemisia salsoloides

1 reference

Volatile constituents of the essential oil and of the absolute of artemisia salsoloides Willd. from Ladakh

Hyssopus officinalis

1 reference

Volatile Components and Odor Intensity of Four Phenotypes of Hyssop (Hyssopus officinalis L.)

Micromeria croatica

1 reference

Composition of the Essential Oil ofMicromeria congesta

Micromeria juliana

1 reference

Composition of the Essential Oil ofMicromeria congesta

Clinopodium album

1 reference

Composition of the Essential Oil ofMicromeria congesta

Ganoderma lucidum

1 reference

Secondary metabolites from Ganoderma lucidum and Spongiporus leucomallellus

Thuja plicata

2 references

Chemistry of thujane derivatives

Chemosystematic study of Thuja plicata: Multivariate analysis of leaf oil terpene composition

Artemisia douglasiana

1 reference

Antimicrobial activity of Artemisia douglasiana leaf essential oil

Artemisia iwayomogi

1 reference

Eudesman-12,8β-olides and other terpenes from Artemisia species

Artemisia ludoviciana

1 reference

Antidiarrhoeal Activity of Nonanal, an Aldehyde Isolated from Artemisia ludoviciana

Artemisia santolinifolia

1 reference

Some Alicyclic Terpenoids from the Tribe Anthemideae

Artemisia baldshuanica

1 reference

A new melampolide and other secondary metabolites from Artemisia baldshuanica

Salvia sclarea

1 reference

BIOSYNTHESIS OF VOLATILE OILS INSALVIA SCLAREAIN THE COURSE OF GERMINATION

Salvia dorystaechas

1 reference

The Essential Oil of Dorystoechas hastata

Chrysanthemum indicum

2 references

Chemical Variations of the Essential Oils in Flower Heads of Chrysanthemum indicum L. from China

Anti-Inflammatory Effect of Supercritical-Carbon Dioxide Fluid Extract from Flowers and Buds of Chrysanthemum indicum Linnén

Salvia rosmarinus

1 reference

Antioxidant Properties of Rosemary Oleoresin in Turkey Sausage

Xylopia sericea

1 reference

Essential Oil of Xylopia sericea. A Comparative Analysis

Litchi chinensis

1 reference

Volatile constituents of litchi (Litchi chinesis Sonn.)

Croton eluteria

1 reference

The constituents of cascarilla oil (croton eluteria bennett)

Sassafras albidum

1 reference

Chemical composition of essential oil from the root bark of Sassafras albidum

Rhanterium epapposum

1 reference

Volatile components ofRhanterium epapposum oliv

liquorice

1 reference

Volatile flavor components of licorice

Santolina chamaecyparissus

1 reference

Chemical Composition of Santolina chamaeyparissus ssp. squarrosa Essential Oil

Stagonosporopsis chrysanthemi

1 reference

Chrysanthone, a bioactive alkaloid from Ascochyta chrysanthemi

Artemisia stechmanniana

1 reference

Some Alicyclic Terpenoids from the Tribe Anthemideae

Thymus orespedanus

1 reference

Composition of the Essential Oil in Thymus orospedanus

Clinopodium thymifolium

1 reference

Composition of the Essential Oil ofMicromeria congesta

Clinopodium barbatum

1 reference

The Essential Oil ofMicromeria fruticosa(L.) Druce subsp.barbata(Boiss et. Ky.), P. H. Davis

Artemisia herba-alba

3 references

The Antibacterial and Antispasmodic Activity ofArtemisia herba albaAsso. II. Examination of Essential Oils from Various Chemotypes

The constitution of essential oils from Artemisia herba alba populations of Israel and Sinai

Essential oil from Artemisia herba-alba Asso grown wild in Algeria: Variability assessment and comparison with an updated literature survey

Rosmarinus officinalis

1 reference

Antioxidant Properties of Rosemary Oleoresin in Turkey Sausage

Origanum dubium

1 reference

Volatile Constituents of Origanum dubium Leaves and Stem-Bark

Salvia triloba

1 reference

Constituents from Salvia triloba

Croton nitens

1 reference

The constituents of cascarilla oil (croton eluteria bennett)

Artemisia

1 reference

Compositions and antifungal activities of essential oils of some Algerian aromatic plants

basil

1 reference

Chemical characterization and genetic relationships among Ocimum basilicum L. cultivars

Psidium guajava

1 reference

Volatile compounds in different parts of the fruit Psidium guajava L. cv. "Media China" identified at distinct phenological stages using HS-SPME-GC-QTOF/MS

Salvia fruticosa

3 references

Constituents from Salvia triloba

Antimicrobial, Cytotoxic, and Antiviral Activities ofSalvia fructicosaEssential Oil

Composition of essential oils from turkish Salvia species

Aloysia citrodora

2 references

Volatile Constituents ofAloysia triphylla(L'Herit.) Britton

Composition of Lemon Verbena (Aloysia triphylla(L'Herit.) Britton) Oil of Moroccan Origin

Achillea ptarmica

1 reference

Essential Oils and Chromosome Numbers From ItalianAchilleaSpecies

Xanthium orientale

1 reference

Constituents of the Essential Oil of Xanthium cavanillesii

Chamaemelum nobile

1 reference

Studies on the genotoxic properties of essential oils with Bacillus subtilis rec-assay and Salmonella/microsome reversion assay

Salvia absconditiflora

2 references

Composition of essential oils from turkish Salvia species

Composition of the Essential Oil of Salvia cryptantha Montbret et Aucher ex Benth. from Turkey

Artemisia gmelinii

1 reference

Eudesman-12,8β-olides and other terpenes from Artemisia species

Aloysia citriodora

2 references

Volatile Constituents ofAloysia triphylla(L'Herit.) Britton

Composition of Lemon Verbena (Aloysia triphylla(L'Herit.) Britton) Oil of Moroccan Origin

Clinopodium carolinianum

1 reference

Composition of the Essential Oil of Calamintha grandiflora

Alpinia zerumbet

1 reference

Essential oils of some Amazonian zingiberaceae, 3. Genera Alpinia and Rengalmia

Salvia

2 references

In-vitro activity of S. lavandulaefolia (Spanish sage) relevant to treatment of Alzheimer's disease

The Essential Oil of Salvia lavandulifolia Subspecies Oxyodon. A Study of its Vegetative Cycle

Artemisia santonicum

1 reference

Composition of the essential oils of Artemesia fragrans, A. spicigera, and A. szowitziana

Clinopodium grandiflorum

1 reference

Composition of the Essential Oil of Calamintha grandiflora

Etlingera elatior

1 reference

Essential oils of some Amazonian zingiberaceae, 3. Genera Alpinia and Rengalmia

Artemisia ammaniana

2 references

Constituents of the Essential Oil of Artemisia coerulescens

Essential Oil fromA rtemisia coerulescens L. subsp. cretacea (Fiori) Br.-Catt. et Gubell.: Analytical Composition and New Constituents

Zieria aspalathoides

1 reference

Occurrence of ( - )-Car-3-en-2-one in Zieria aspalathoides (Rutaceae)

Xanthium strumarium

1 reference

Constituents of the Essential Oil of Xanthium cavanillesii

physically interacts with

taste receptor type 2

subject has role

agonist

2 references

The human taste receptor hTAS2R14 responds to a variety of different bitter compounds

The Molecular Receptive Ranges of Human TAS2R Bitter Taste Receptors

1 reference

0 references

0 references

Identifiers

InChI

InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1

1 reference

alpha-Thujone (English)

19 November 2016

2 references

alpha-Thujone (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

546-80-5

2 references

Global Substance Registration System

UNII

R0SQ9G0DU5

https://commonchemistry.cas.org/detail?cas_rn=546-80-5

α-thujone (English)

19 November 2016

6 April 2021

1 reference

(-)-alpha-Thujone (English)

3 October 2016

2 references

alpha-Thujone (English)

19 November 2016

Reaxys registry number

4660369

1 reference

(-)-alpha-thujone (English)

3 October 2016

ChEBI ID

9577

mapping relation type

2 references

CHEMBL1444078 (English)

19 November 2016

International Chemical Identifier

InChI

InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1

1 reference

CHEMBL1444078 (English)

19 November 2016

2 references

inferred from InChIKey

MSBNK-Fac_Eng_Univ_Tokyo-JP006608

1 reference

MassBank accession ID

0 references

SPLASH

splash10-0159-9100000000-9e3f8c13550e0c33d603

0 references

NMRShiftDB structure ID

40265319

1 reference

DSSTox substance ID

DTXSID3026148

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

0 references

1 reference

Global Substance Registration System

UNII

R0SQ9G0DU5

α-thujone (English)

ECHA Substance Infocard ID

19 November 2016

100.008.103

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.008.103

27 December 2018

Guide to Pharmacology Ligand ID

1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one (English)

quotation

CAS no.: 546-80-5 (English)

1 reference

28 December 2019

ISOPROPYL-METHYLBICYCLOHEXANONE (English)

quotation

CAS no.: 546-80-5 (English)

5344

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

5344

(-)-α-thujone (English)

Human Metabolome Database ID

19 November 2016

HMDB0036115

2 references

based on heuristic

inferred from InChIKey

1 reference

Global Substance Registration System

(-)-alpha-thujone (English)

3 October 2016

2 references

UNII

R0SQ9G0DU5

α-thujone (English)

19 November 2016

0 references

1 reference