(Q3209146)

Gene Ontology release 2020-05-02

Rhea release 113

chemical structure

Sulcatone.svg
750 × 275; 7 KB

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mass

126.104 dalton

1 reference

6-METHYL-5-HEPTEN-2-ONE (English)

19 October 2016

chemical formula

C₈H₁₄O

1 reference

6-METHYL-5-HEPTEN-2-ONE (English)

19 November 2016

canonical SMILES

CC(=CCCC(=O)C)C

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6-METHYL-5-HEPTEN-2-ONE (English)

19 November 2016

isomeric SMILES

CC(=O)CC/C=C(\C)/C

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melting point

−67.0 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

boiling point

173 degree Celsius

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found in taxon

Prunus dulcis

1 reference

Components of almond hulls: possible navel orangeworm attractants and growth inhibitors

Cymbopogon citratus

1 reference

Components of the essential oil of lemongrass

Pelargonium graveolens

1 reference

(5R*, 9S*)- and (5R*, 9R*)-2,2,9-Trimethyl-1,6-dioxaspiro[4.4]non-3-ene and their Dihydro Derivatives as New Constituents of Geranium Oil

Gonioctena viminalis

1 reference

Chemical defence in the larvae of the leaf beetle Gonioctena viminalis L. (Coleoptera: Chrysomelidae)

Zingiber mioga

1 reference

Volatile Flavor Compounds of Myoga (Zingiber Mioga).

rooibos

1 reference

Volatile components of Rooibos tea (Aspalathus linearis)

Avena sativa

1 reference

Oat leaf volatiles: possible insect attractants

Lippia dulcis

4 references

The intensely sweet herb, Lippia dulcis Trev.: historical uses, field inquiries, and constituents.

Terpenoid composition of Lippia dulcis

(+)-4 beta-hydroxyhernandulcin, a new sweet sesquiterpene from the leaves and flowers of Lippia dulcis

Leaf Oil ofPhyla scaberrima(L.) Small from Cuba

Cinnamomum sieboldii

1 reference

Miscellaneous contributions to the essential oils of plants from various territories. XLVII. On the components of essential oils of Cinnamomum sieboldii Meisn

Ceratocystis coerulescens

1 reference

Isopulegol from Liquid Cultures of the Fungus Ceratocystis coerulescens (Ascomycotina)

Endoconidiophora coerulescens

1 reference

Isopulegol from Liquid Cultures of the Fungus Ceratocystis coerulescens (Ascomycotina)

Heracleum dissectum

1 reference

Composition of the Essential Oil from Heracleum dissectum

Zingiber officinale

3 references

Volatile flavor components of Zingiberis rhizoma (Zingiber officinale Roscoe).

Repellent activity of alligator pepper, Aframomum melegueta, and ginger, Zingiber officinale, against the maize weevil, Sitophilus zeamais.

ZINGIBEROL—A NEW SESQUITERPENE ALCOHOL OCCURRING IN THE ESSENTIAL OIL OF GINGER.

Daphne odora

1 reference

Volatile components of zinchoge flower (Daphne odora Thunb.).

Artemisia arborescens

2 references

Constituents of Essential Oil of Artemisia arborescens.

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

starfruit

1 reference

Volatile constituents of carambola (Averrhoa carambola L.)

liquorice

1 reference

Components of essential oil from the root of Glycyrrhiza glabra.

Nepeta racemosa

1 reference

Composition of the Essential Oil of Nepeta racemosa Lam.

Thymus longicaulis

1 reference

The Occurrence of Three Chemotypes of Thymus longicaulis C. Presl. subsp. longicaulis in the Same Population

Citrus grandis

1 reference

Citrus hystrix

2 references

The Chemical Composition of Citrus Hystrix DC (Swangi)

mandarin orange

1 reference

Ganoderma lucidum

1 reference

Secondary metabolites from Ganoderma lucidum and Spongiporus leucomallellus

Hesperis matronalis

1 reference

Flower color-flower scent associations in polymorphic Hesperis matronalis (Brassicaceae)

Rhodiola rosea

1 reference

Volatiles from rhizomes of Rhodiola rosea L.

Aloysia citrodora

1 reference

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

Aloysia triphylla

1 reference

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

Artemisia absinthium

1 reference

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

Arum maculatum

1 reference

The floral odour of Arum maculatum

Aster scaber

1 reference

Volatile compounds isolated from edible Korean chamchwi (Aster scaber Thunb)

Backhousia citriodora

1 reference

Backhousia citriodoraF. Muell. (Myrtaceae), A Superior Source of Citral

Bellis perennis

1 reference

Acetylenes and terpenoids of Bellis perennis

Bothriochloa bladhii

1 reference

New Constituents ofBothriochloa bladhi

Cichorium endivia

1 reference

Neutral volatiles from blended endive (Cichorium endivia, L.)

Citrullus lanatus

1 reference

Volatile flavor components of watermelon (Citrullus vulgaris).

Citrus medica

1 reference

Chemical Investigation of the Fruit Peel Oil ofCitrus medicaL. var.sarcodactylis(Noot.) Swingle from Vietnam

Croton eluteria

1 reference

The constituents of cascarilla oil (croton eluteria bennett)

Cymbopogon flexuosus

1 reference

The Chemical Composition of the Essential Oil ofCymbopogon flexuosus(Steud) Wats. Growing in Northeast India

Evernia prunastri

1 reference

Qualitative analysis of the odoriferous fraction of oakmoss (Evernia prunastri)

Helichrysum amorginum

1 reference

Chemical and biological studies on two Helichrysum species of Greek origin

Helichrysum italicum

1 reference

Chemical and biological studies on two Helichrysum species of Greek origin

Hesperozygis rhododon

1 reference

Essential Oil Composition and Allelopathic Effect of the Brazilian LamiaceaeHesperozygis ringens(Benth.) Epling andHesperozygis rhododonEpling†

Hexalobus monopetalus

1 reference

Essential Oil of Hexalobus monopetalus (A. Rich) Engl. Leaves from Benin: A New Source of Citral

Iridomyrmex purpureus

1 reference

Biosynthesis of 6-Methylhept-5-en-2-one in the Australian Meat Ant, Iridomyrmex purpureus

Matricaria chamomilla

4 references

Supercritical carbon dioxide extraction of chamomile essential oil and its analysis by gas chromatography-mass spectrometry

Composition of the Essential Oils of WildChamomilla recutita(L.) Rausch. Grown in Greece

Essential oil composition ofMatricaria recutita L. from the lower region of the Himalayas

Propagation Method and Distillation Apparatus Type Affect Essential Oil from Different Parts of Matricaria recutita L. Plants

Micromeria biflora

1 reference

Composition of the Essential Oil ofMicromeria biflora

Chinese peony

1 reference

Volatile constituents of peony flowers

Pectis elongata

1 reference

Analysis of the Essential Oil ofPectis elongataKunth. from Martinique. Evaluation of Its Bacteriostatic and Fungistatic Properties

Pelargonium citronellum

1 reference

Composition of the Essential Oil ofPelargonium citronellum(Geraniaceae)

Phallus impudicus

1 reference

Dimethyl oligosulphides, major volatiles released from Sauromatum guttatum and Phallus impudicus

Polygala senega

1 reference

Volatile compounds ofPolygala senega L. var.latifolia Torrey et Gray roots

Rhanterium epapposum

1 reference

Volatile components ofRhanterium epapposum oliv

Salvia sclarea

1 reference

Constituents of the Essential Oil of Salvia sclarea Growing Wild in Greece

Satureja wiedemanniana

1 reference

Essential Oil ofSatureja wiedemanniana(Lallem.) Velen

Sideritis athoa

1 reference

The Essential Oil ofSideritis athoaPapanikolaou et Kokkini

Sideritis hispida

1 reference

Essential Oil ofSideritis hispidaP. H. Davis, an Endemic Species from Turkey

clove

1 reference

Volatile components of clove essential oil (Eugenia caryophyllus SPRENG): Neutral fraction.

Tanacetum parthenium

1 reference

Airborne Compositae dermatitis: monoterpenes and no parthenolide are released from flowering Tanacetum parthenium (feverfew) plants

Uvaria chamae

1 reference

Volatile Constituents of Uvaria chamae Leaves and Root Bark.

Vitex negundo

1 reference

Composition of the Essential Oil of the Leaves of Vitex negundo

Hypnogyra angularis

1 reference

Notizen: Volatiles from the Defensive Secretions of Two Rove Beetle Species (Coleoptera: Staphylinidae)

Zanthoxylum chalybeum

2 references

Volatile Constituents of the Leaf Oil ofZanthoxylum chalybeumEngl.

Composition of the Leaf Oil of Zanthoxylum chalybeum Thunb

Chrysanthemum indicum

1 reference

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

Thymus camphoratus

1 reference

Composition and infraspecific variability of essential oil from Thymus camphoratus

Vaccinium macrocarpon

1 reference

The Aroma of Cranberries. II. Vaccinium macrocarpon Ait.

Calothrix (illegit. fungus)

1 reference

Volatile organic compound (VOC) analysis and sources of limonene, cyclohexanone and straight chain aldehydes in axenic cultures of Calothrix and Plectonema.

Rhodiola crenulata

1 reference

Volatiles from rhizomes of Rhodiola rosea L.

Elsholtzia eriostachya

1 reference

The Essential Oil fromElsholtzia eriostachyavar.pusilla

Cannabis sativa

1 reference

Constituents of Cannabis sativa L. XVII. A review of the natural constituents

Rosmarinus officinalis

1 reference

Phytochemical Profiling of Flavonoids, Phenolic Acids, Terpenoids, and Volatile Fraction of a Rosemary (Rosmarinus officinalis L.) Extract.

Citrus × paradisi

1 reference

Vaccinium vitis-idaea

1 reference

The Aroma of Cranberries. I. Vaccinium vitis-idaea L..

Curcuma mangga

1 reference

Essential Oil ofCurcuma manggaVal. and van Zijp Rhizomes

Wild Carrot

1 reference

Changes in volatile compounds of carrots (Daucus carota L.) during refrigerated and frozen storage.

Humulus lupulus

1 reference

Rapid Differentiation of Chinese Hops Varieties (Humulus lupulus) Using Volatile Fingerprinting by HS-SPME-GC-MS Combined with Multivariate Statistical Analysis.

Carica papaya

2 references

Volatile components of papaya (Carica papaya L., Maradol variety) fruit

Headspace examination of volatile emissions from ripening papaya (Carica papaya L., Solo variety)

Perilla frutescens

2 references

GC-MS analysis of volatile compounds of Perilla frutescens Britton var. Japonica accessions: Morphological and seasonal variability.

Regional variation in components and antioxidant and antifungal activities of Perilla frutescens essential oils in China

Thymus capitatus

1 reference

Chemical composition and antifungal activity of the essential oil of Thymbra capitata

Punica granatum

1 reference

Volatile organic compounds in the aril juices and seeds from selected five pomegranate (Punica granatum L.) cultivars

Nicotiana tabacum

2 references

Comparison of different extraction methods: steam distillation, simultaneous distillation and extraction and headspace co-distillation, used for the analysis of the volatile components in aged flue-cured tobacco leaves

Extraction of essential oil from discarded tobacco leaves by solvent extraction and steam distillation, and identification of its chemical composition

tomato

5 references

Effect of eugenol and guaiacol application on tomato aroma composition determined by headspace stir bar sorptive extraction

Relationships between the volatile compounds evaluated by solid phase microextraction and the thermal treatment of tomato juice: optimization of the blanching parameters

Effect of autochthonous lactic acid bacteria starters on health-promoting and sensory properties of tomato juices

Relating sensory analysis with electronic nose and headspace fingerprint MS for tomato aroma profiling

Determination of Volatile Organic Compounds in Andean Tomato Landraces by Headspace Solid Phase Microextraction-Gas Chromatography-Mass Spectrometry

Camellia sinensis

1 reference

Metabolite profiling of Camellia sinensis by automated sequential, multidimensional gas chromatography/mass spectrometry reveals strong monsoon effects on tea constituents

Scaligeria lazica

1 reference

The Essential Oil of Scaligeria lazica Boiss.

Osmanthus fragrans

1 reference

Headspace Analysis of Osmanthus fragrans Lour.

Couroupita guianensis

1 reference

Volatile Constituents of Couroupita guianensis Aubl. Flowers

Citrus × deliciosa

1 reference

pomelo

1 reference

Zanthoxylum chalybaeum

2 references

Volatile Constituents of the Leaf Oil ofZanthoxylum chalybeumEngl.

Composition of the Leaf Oil of Zanthoxylum chalybeum Thunb

Chamomilla recutita

4 references

Supercritical carbon dioxide extraction of chamomile essential oil and its analysis by gas chromatography-mass spectrometry

Essential oil composition ofMatricaria recutita L. from the lower region of the Himalayas

Propagation Method and Distillation Apparatus Type Affect Essential Oil from Different Parts of Matricaria recutita L. Plants

Composition of the Essential Oils of WildChamomilla recutita(L.) Rausch. Grown in Greece

Thymbra capitata

1 reference

Chemical composition and antifungal activity of the essential oil of Thymbra capitata

Prunus avium

1 reference

Components of almond hulls: possible navel orangeworm attractants and growth inhibitors

Aloysia citriodora

1 reference

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

Tripleurospermum inodorum

1 reference

Composition of the essential oil of the flower heads of Matricaria perforata.

Thymus

1 reference

The Essential Oil of Thymus bornmuelleri Velen.

strawberries

1 reference

Composition of Secondary Metabolites in Various Parts of 'Seolhyang' Strawberry Plants

1 reference

6-Methyl-5-hepten-2-one

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Identifiers

InChI

InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3

1 reference

6-METHYL-5-HEPTEN-2-ONE (English)

19 November 2016

2 references

6-METHYL-5-HEPTEN-2-ONE (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

110-93-0

2 references

Global Substance Registration System

https://commonchemistry.cas.org/detail?cas_rn=110-93-0

methyl heptenone (English)

19 November 2016

6 April 2021

1 reference

6-Methyl-5-hepten-2-one (English)

19 November 2016

1 reference

6-METHYL-5-HEPTEN-2-ONE (English)

19 November 2016

Reaxys registry number

1741705

1 reference

sulcatone (English)

19 October 2016

mapping relation type

2 references

CHEMBL46340 (English)

19 November 2016

International Chemical Identifier

InChI

InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3

1 reference

CHEMBL46340 (English)

19 November 2016

2 references

MSBNK-Fac_Eng_Univ_Tokyo-JP007035

1 reference

MassBank accession ID

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SPLASH

splash10-052f-9100000000-a1a351553f2efdaaf3bc

0 references

0 references

1 reference

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

DSSTOX compound identifier

0 references

0 references

0 references

203-816-7

1 reference

Global Substance Registration System

methyl heptenone (English)

ECHA Substance Infocard ID

19 November 2016

100.003.470

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.003.470

27 December 2018

PesticideInfo chemical ID

6-methylhept-5-en-2-one (English)

quotation

CAS no.: 110-93-0 (English)

1 reference

28 December 2019

6-METHYL-5-HEPTEN-2-ONE (English)

quotation

CAS no.: 110-93-0 (English)

0 references

1 reference

AICS Chemical ID (BEING DELETED)

2947

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Human Metabolome Database ID

HMDB0035915

2 references

based on heuristic

3 references

sulcatone (English)

19 October 2016

3 references

sulcatone (English)

19 October 2016

2 references

Global Substance Registration System

methyl heptenone (English)

19 November 2016

Natural Product Atlas ID

NPA031444

2 references

based on heuristic

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

0 references

0 references

1 reference

30 June 2018

SwissLipids ID

SLM:000597967

1 reference

Google Knowledge Graph ID

0 references

0 references

0 references

1 reference

4FQT (English)