isocaryophyllene (Q27106968)

Isocaryophyllene (English)

(E)-2-epi-beta-caryophyllene

5 October 2016

stereoisomer of

2 references

2 references

2 references

Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4E,9S)-

inferred from InChI

1 reference

1 reference

Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1S,4E,9R)-

1 reference

inferred from InChI

(+)-beta-caryophyllene

1 reference

(1R,4Z,9R)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene

inferred from InChI

1 reference

1 reference

C₁₅H₂₄

1 reference

Isocaryophyllene (English)

19 November 2016

canonical SMILES

CC1=CCCC(=C)C2CC(C2CC1)(C)C

1 reference

Isocaryophyllene (English)

19 November 2016

isomeric SMILES

C/C/1=C/CCC(=C)[C@H]2CC([C@@H]2CC1)(C)C

1 reference

Composition of Aloysia gratissima leaf essential oil

Isocaryophyllene (English)

19 November 2016

1 reference

Dendropanax trifidus

1 reference

The Sesquiterpenes ofDendropanax trifidus

Blepharocalyx tweediei

1 reference

Constituents of the essential oil of Blepharocalyx tweediei

Blepharocalyx salicifolius

1 reference

Constituents of the essential oil of Blepharocalyx tweediei

Brucea javanica

1 reference

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

Salvia dorisiana

2 references

The Essential Oil ofSalvia dorisianaStandley

Essential oil Salvia dorisiana

Satureja cuneifolia

1 reference

Variations in yield and composition of the essential oil of Satureja obovat

Thymus funkii

1 reference

Composition and study of the variability of the essential oil ofThymus funkii Cosson

Conyza bonariensis

1 reference

Chemical composition of essential oils from leaves, stems, flower heads and roots of Conyza bonariensis L. from Tunisia

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

Angelica archangelica

1 reference

Extraction of Volatile Compounds of Angelica (Angelica archangelica L.) Root by Liquid Carbon Dioxide

Aristolochia elegans

1 reference

Volatile constituents of leaves, roots and stems from Aristolochia elegans

Asarum asperum

1 reference

Supplemental Studies on the Volatile Oils of Asarum Group. (2)

Aster scaber

1 reference

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

Azadirachta indica

1 reference

Antifungal activity of Azadirachta indica leaf hexane extract

Baccharis coridifolia

1 reference

Essential Oil of Female Plants ofBaccharis coridifoliaDe Candole

Conyza sumatrensis

1 reference

Essential Oil ofConyza sumatrensis(Retz) Walk

Croton flavens

1 reference

Essential Oil ofCroton flavensL. (Welensali), a Medicinal Plant from Curacao

Cryptomeria japonica

1 reference

GC/MS Analysis of the Leaf Oil ofCryptomeria japonicaD. Don from Reunion Island

Cuminum cyminum

1 reference

Composition of the Turkish Cumin Seed Oil

Curcuma pierreana

1 reference

Volatile Constituents of the Rhizome, Stem and Leaf Oils ofCurcuma pierreanaGagnep. from Vietnam

Heterotropa

1 reference

Supplemental Studies on the Volatile Oils of Asarum Group. (2)

Lippia dulcis

1 reference

Terpenoid composition of Lippia dulcis

Tetradenia riparia

1 reference

Essential Oil ofMoschosma ripariumHochst. (Lamiaceae) from Manaus, Amazonas, Brazil

Ocimum gratissimum

1 reference

Genetic diversity of Ocimum gratissimum L. based on volatile oil constituents, flavonoids and RAPD markers

Perilla frutescens var. hirtella

1 reference

Chemical Composition of Essential Oils fromPerilla setoyensis, A New Species of WildPerillain Japan

Piper nigrum

1 reference

Some minor sesquiterpene hydrocarbons of black pepper

Santolina chamaecyparissus

1 reference

Chemical Composition of Santolina chamaeyparissus ssp. squarrosa Essential Oil

Monosis parishii

1 reference

Chemical Constituents of Vernonia parishii

Vismia cayennensis

2 references

Prenylated anthranoids from Vismia species

Prenylated anthranoids from Vismia species

Artemisia filifolia

1 reference

Types of sesquiterpenes from Artemisia filifolia

Cassinia laevis

1 reference

Sesquiterpene lactones and other constituents from Cassinia, actinobole and an axeton species

Cassinia subtropica

1 reference

Sesquiterpene lactones and other constituents from Cassinia, actinobole and an axeton species

Cassinia uncata

1 reference

Sesquiterpene lactones and other constituents from Cassinia, actinobole and an axeton species

Citrus wilsonii

1 reference

Essential oil of the leaves ofCitrus wilsonii

Eugenia uniflora

1 reference

Influence of fruit biotypes on the chemical composition and antifungal activity of the essential oils of eugenia uniflora leaves

Acca sellowiana

1 reference

Volatile flavour constituents in the skin oil from Feijoa sellowiana

Othonna obtusiloba

1 reference

Sesquiterpene derivatives from othonna and related species

Feijoa sellowiana

1 reference

Volatile flavour constituents in the skin oil from Feijoa sellowiana

Pogostemon cablin

1 reference

Insecticidal and repellence activity of the essential oil of Pogostemon cablin against urban ants species

Cannabis sativa

1 reference

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

Thymus longiflorus

1 reference

Composition and study of the variability of the essential oil ofThymus funkii Cosson

Artemisia annua

2 references

Analysis of Artemisia annua L. volatile oil by comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry.

Chemical Composition and Antipathogenic Activity of Artemisia annua Essential Oil from Romania.

tomato

1 reference

Secretions from the ventral eversible gland of Spodoptera exigua caterpillars activate defense-related genes and induce emission of volatile organic compounds in tomato, Solanum lycopersicum

Foeniculum vulgare

1 reference

Chemical composition, antibacterial activity and mechanism of action of essential oil from seeds of fennel (Foeniculum vulgare Mill.)

1 reference

1 reference

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

Thymus capitatus

1 reference

Towards gas chromatography-mass spectrometry coupling protocols for both identifying and quantification essential oils of Thymus capitatus Hoff et Link

Psidium guajava

1 reference

Chemical composition of the leaf volatile oil of Psidium guajavaL. growing in Nigeria

Aristolochia littoralis

1 reference

Volatile constituents of leaves, roots and stems from Aristolochia elegans

Persicaria minor

1 reference

Volatile profiling of aromatic traditional medicinal plant, Polygonum minus in different tissues and its biological activities.

Persicaria hydropiperoides

1 reference

Volatile profiling of aromatic traditional medicinal plant, Polygonum minus in different tissues and its biological activities.

Erigeron bonariensis

1 reference

Chemical composition of essential oils from leaves, stems, flower heads and roots of Conyza bonariensis L. from Tunisia

Thymbra capitata

1 reference

Towards gas chromatography-mass spectrometry coupling protocols for both identifying and quantification essential oils of Thymus capitatus Hoff et Link

Aloysia citriodora

1 reference

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

Melaleuca quinquenervia

1 reference

Occurrence of various chemotypes in niaouli [Melaleuca quinquenervia (Cav.) S. T. Blake] essential oil from New Caledonia

Eryngium

1 reference

Essential oil composition of Eryngium rosulatum P.W. Michael ined.: A new undescribed species from eastern Australia

Identifiers

InChI

InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1

1 reference

Isocaryophyllene (English)

NPNUFJAVOOONJE-FLFDDASRSA-N

19 November 2016

InChIKey

1 reference

Global Substance Registration System

Isocaryophyllene (English)

19 November 2016

2 references

UNII

NRY8I0KNIR

https://commonchemistry.cas.org/detail?cas_rn=118-65-0

isocaryophyllene (English)

19 November 2016

7 April 2021

InChIKey

NPNUFJAVOOONJE-FLFDDASRSA-N

1 reference

g-Caryophyllene (English)

5 October 2016

1 reference

Isocaryophyllene (English)

19 November 2016

ChEBI ID

5993

mapping relation type

2 references

CARYOPHYLLENE (English)

19 November 2016

ChEBI release 2021-03-01

1 reference

MSBNK-Fac_Eng_Univ_Tokyo-JP002852

CARYOPHYLLENE (English)

19 November 2016

1 reference

MassBank accession ID

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP010683

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP007124

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP007539

0 references

SPLASH

splash10-0006-9400000000-17580c580b9bac158421

0 references

splash10-05o3-9600000000-975e9caf823997629d96

0 references

splash10-0006-9400000000-cc1cb468f4f5a1307735

0 references

DSSTox substance ID

DTXSID10881246

0 references

DSSTOX compound identifier

DTXCID201022518

0 references

EC number

204-267-6

1 reference

Global Substance Registration System

UNII

NRY8I0KNIR

isocaryophyllene (English)

ECHA Substance Infocard ID

19 November 2016

100.003.880

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.003.880

27 December 2018

AICS Chemical ID (BEING DELETED)

[1R-(1R*,4Z,9S*)]-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene (English)

quotation

CAS no.: 118-65-0 (English)

1 reference

28 December 2019

TRIMETHYL-8-METHYLENEBICYCLO-4-UNDECENE (English)

quotation

CAS no.: 118-65-0 (English)

1 reference

3296

0 references

Human Metabolome Database ID

HMDB0061779

1 reference

1 reference

Global Substance Registration System

Isocaryophyllene (English)

5 October 2016

1 reference

UNII

NRY8I0KNIR

isocaryophyllene (English)

19 November 2016

1 reference

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

Isocaryophyllene (English)

5 October 2016

1 reference