β-damascenone (Q416126)

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chemical compound

(E)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
(E)-beta-damascenone
trans-beta-damascenone
trans-damascenone
beta-(E)-damascenone
damascenone
(2E)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one

Language	Label	Description	Also known as
English	β-damascenone	chemical compound	(E)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one (E)-beta-damascenone trans-beta-damascenone trans-damascenone beta-(E)-damascenone damascenone (2E)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one

Statements

type of chemical entity

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chemical structure

Damascenone.png
1,581 × 1,103; 15 KB

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image of molecular model or crystal lattice model

Damascenone-3D.png
1,200 × 1,455; 448 KB

ball-and-stick model

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190.135765 dalton

1 reference

language of work or name

Damascenone (English)

7 October 2016

chemical formula

C₁₃H₁₈O

1 reference

language of work or name

Damascenone (English)

19 November 2016

canonical SMILES

CC=CC(=O)C1=C(C=CCC1(C)C)C

1 reference

language of work or name

Damascenone (English)

19 November 2016

isomeric SMILES

C/C=C/C(=O)C1=C(C=CCC1(C)C)C

1 reference

language of work or name

Damascenone (English)

19 November 2016

Baccharis dracunculifolia

1 reference

Constituents of Brazilian Vassoura oil

Centaurea armena

1 reference

Composition and antimicrobial activity of essential oils from Centaurea sessilis and Centaurea armena

Centaurea sessilis

1 reference

Composition and antimicrobial activity of essential oils from Centaurea sessilis and Centaurea armena

Achillea grandifolia

1 reference

Volatile Constituents of Achillea grandifolia

Agathosma betulina

1 reference

Analysis of Buchu leaf oil

Chamaemelum nobile

3 references

Novel Ketones from Roman Camomile Oil

The Occurrence of 3-Phenylpropyl Isobutyrate in Roman Camomile Oil

Chemical Constituents and Antioxidant Properties of Matricaria recutita and Chamaemelum nobile Essential Oil Growing Wild in the South West of Iran

Artemisia judaica

1 reference

The Essential Oil of Artemisia judaica L. from the Sinai and Negev Deserts. Aromatic Plants of the Holy Land and the Sinai, Part II

1 reference

Volatile components of Rooibos tea (Aspalathus linearis)

1 reference

Volatile flavor components of malabar-nightshade (Basella rubra L.)

Bellis perennis

1 reference

Acetylenes and terpenoids of Bellis perennis

Cedronella canariensis

1 reference

Chavicol β-d-glucoside, a phenylpropanoid heteroside, benzyl-β-d-glucoside and glycosidically bound volatiles from subspecies of Cedronella canariensis

Hamamelis virginiana

1 reference

Study on the composition of the volatile fraction of Hamamelis virginiana

Helichrysum ambiguum

1 reference

Composition and antibacterial activity of the essential oils of Helichrysum rupestre and H. ambiguum growing in the Balearic Islands (Part III)

Ipomoea pes-caprae

1 reference

Antispasmodic Activity of β-Damascenone andE-Phytol Isolated fromIpomoea pes-caprae

Malus domestica

1 reference

Detection and Partial Characterization of Eight .beta.-Damascenone Precursors in Apples (Malus domestica Borkh. Cv. Empire)

1 reference

Detection and Partial Characterization of Eight .beta.-Damascenone Precursors in Apples (Malus domestica Borkh. Cv. Empire)

Mutisia friesiana

1 reference

Chemical Study of the Essential Oil of Mutisia Friesiana

2 references

Composition of the Essential Oil of Ocimum basilicum L. Cultivated in Turkey

Chemical characterization and genetic relationships among Ocimum basilicum L. cultivars

Orthosiphon grandiflorus

1 reference

Content and Composition of the Essential Oil of Orthosiphon aristatus

Polygala senega

1 reference

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

Rosa × damascena

1 reference

Contact dermatitis from geraniol in Bulgarian rose oil.

1 reference

Contact dermatitis from geraniol in Bulgarian rose oil.

1 reference

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

2 references

Essential Oil of Salvia lereifolia Benth.

Essential Oil of Salvia syriaca L.

Sideritis amasiaca

2 references

Essential oil of Sideritis hirsuta

Essential Oil of Sideritis amasiaca Bornm.

Sideritis dichotoma

1 reference

Characterization of the Essential Oil ofSideritis dichotoma

Sideritis hispida

1 reference

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

Swertia japonica

1 reference

Semburins and Swertiols, Novel 2,8-Dioxabicyclo[3.3.1]nonanes and Their Precursory Alcohols, from Swertia japonica Makino

Tordylium apulum

1 reference

Composition and Antibacterial Activity of the Essential Oil of Tordylium apulum L.

2 references

Partial characterization of β-damascenone precursors and toxicity studies of free β-damascenone in cell cultures ofVitis xlabruscana cv. Concord grapes

The presence of damascenone in cultivars of Vitis vinifera (Linneaus), V. rotundifolia (Michaux), and V. labruscana (Baily)

Vitis rotundifolia

1 reference

The presence of damascenone in cultivars of Vitis vinifera (Linneaus), V. rotundifolia (Michaux), and V. labruscana (Baily)

Iris x germanica

1 reference

New Irone-Related Constituents from the essential oil ofIris germanica L.

Mangifera indica

3 references

Volatile components from mango (Mangifera indica L.) cultivars

Aroma Volatile Constituents of Brazilian Varieties of Mango Fruit

Characteristic Aroma Components of the Volatile Oil of Yellow Keaw Mango Fruits Determined by Limited Odor Unit Method.

1 reference

Free and glycosidically bound aroma compounds in cherry (Prunus avium L.).

Apium graveolens

1 reference

Potent odorants characterize the aroma quality of leaves and stalks in raw and boiled celery.

Matricaria chamomilla

1 reference

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

Chamomilla recutita

1 reference

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

Cistus creticus

1 reference

Phytochemical analysis of the labdanum-poor Cistus creticus subsp. eriocephalus (Viv.) Greuter et Burdet growing in central Italy

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

2 references

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

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

Viburnum orientale

1 reference

Composition of the Essential Oil from Viburnum orientale Pallas Leaves

Orthosiphon aristatus

1 reference

Content and Composition of the Essential Oil of Orthosiphon aristatus

Centaurea oltensis

1 reference

Composition and antimicrobial activity of essential oils from Centaurea sessilis and Centaurea armena

1 reference

Characterization of volatile substances in apples from Rosaceae family by headspace solid-phase microextraction followed by GC-qMS.

Chrysocephalum ambiguum

1 reference

Composition and antibacterial activity of the essential oils of Helichrysum rupestre and H. ambiguum growing in the Balearic Islands (Part III)

3 references

Norisoprenoids in Vitis vinifera White Wine Grapes and the Identification of a Precursor of Damascenone in These Fruits

The presence of damascenone in cultivars of Vitis vinifera (Linneaus), V. rotundifolia (Michaux), and V. labruscana (Baily)

Quantitative determination of free and hydrolytically liberated beta-damascenone in red grapes and wines using a stable isotope dilution assay

Scleromitrion diffusum

1 reference

Composition of the Essential Oil of Hedyotis diffusa Willd.

Capparis spinosa

1 reference

Nematicidal activity of 2-thiophenecarboxaldehyde and methylisothiocyanate from caper (Capparis spinosa) against Meloidogyne incognita

Identifiers

InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+

1 reference

language of work or name

Damascenone (English)

19 November 2016

POIARNZEYGURDG-FNORWQNLSA-N

2 references

language of work or name

Damascenone (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

Global Substance Registration System

language of work or name

β-damascenone (English)

19 November 2016

POIARNZEYGURDG-FNORWQNLSA-N

CAS Common Chemistry

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=23726-93-4

1 reference

language of work or name

b-Damascenone (English)

19 November 2016

2 references

language of work or name

Damascenone (English)

19 November 2016

matched by identifier from

POIARNZEYGURDG-FNORWQNLSA-N

Reaxys registry number

2046080

1 reference

language of work or name

beta-damascenone (English)

7 October 2016

mapping relation type

2 references

language of work or name

beta-damascenone (English)

7 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

POIARNZEYGURDG-FNORWQNLSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

POIARNZEYGURDG-FNORWQNLSA-N

UniChem compound ID

1 reference

DSSTox substance ID

1 reference

matched by identifier from

POIARNZEYGURDG-FNORWQNLSA-N

DSSTOX compound identifier

0 references

245-844-2

1 reference

Global Substance Registration System

language of work or name

β-damascenone (English)

19 November 2016

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

(E)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one (English)

CAS no.: 23726-93-4 (English)

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

POIARNZEYGURDG-FNORWQNLSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

POIARNZEYGURDG-FNORWQNLSA-N

2 references

Global Substance Registration System

language of work or name

β-damascenone (English)

19 November 2016

matched by identifier from

POIARNZEYGURDG-FNORWQNLSA-N

Probes And Drugs ID

0 references

1 reference

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

30 June 2018

1 reference

Freebase Data Dumps

publication date

28 October 2013

Microsoft Academic ID

0 references

Sitelinks

Wikipedia(11 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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