(Q72443959)

English

alpha-Bisabolol

chemical compound

6-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol
alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanol

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Statements

instance of

type of chemical entity

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subclass of

(2S)-6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol

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(2R)-6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol

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based on heuristic

inferred from SMILES

mass

222.198365452 dalton

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C₁₅H₂₆O

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canonical SMILES

OC(C)(CCC=C(C)C)C1CC=C(C)CC1

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isomeric SMILES

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

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found in taxon

Microbiota decussata

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stated in

Structure of Microbiotol, a New Sesquiterpene Alcohol from Needles of Microbiota decussata

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Terpenoids from plants of the family Cupressaceae. I. Sesquiterpene alcohols from the needles ofMicrobiota decussata

Artemisia annua

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stated in

Composition of the essential oil from the root of Artemisia annua

Juniperus virginiana var. silicicola

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Sesquiterpenes from the wood of Juniperus lucayana.

Lychnophora ericoides

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Environmental factors influence on chemical polymorphism of the essential oils of Lychnophora ericoides

Phlebia tremellosa

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5-Alkylresorcinols fromMeruliusincarnatus

Piper fimbriulatum

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Leaf essential oils of three panamanian Piper species

Abies nephrolepis

2 references

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α-Bisabolol in needles of the familyPinacae

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Mono- and sesquiterpenoids of the oleoresin ofAbies nephrolepis. Crystal structure of (+)-?-cedrol

Ferula hermonis

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New sesquiterpenes from Ferula sinaica

Pinus koraiensis

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α-Bisabolol in needles of the familyPinacae

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Mono- and sesquiterpenoids of the oleoresin ofPinus koraiensis andP. pumila. crystal structure of 1β,4αH,7αH,10βH-Guaiane-5α,14-diol

Pinus sibirica

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stated in

α-Bisabolol in needles of the familyPinacae

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Group composition of the oleoresin of the Siberian Stone Pine

Abies sachalinensis var. mayriana

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Mono- and sesquiterpenoids of the oleoresins ofAbies sachalinensis, A. mayriana, andA. gracilis

Artemisia xanthochloa

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stated in

Prenylated coumarates from Artemisia xanthochroa

Eremanthus incanus

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stated in

Sesquiterpene lactones from Eremanthus species

Fokienia hodginsii

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stated in

Über die Inhaltsstoffe des ätherischen Holzöls vonFokienia hodginsii L.

Helichrysum mimetes

1 reference

stated in

Phloroglucinol derivatives and other constituents from South African Helichrysum species

Lasiolaena morii

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stated in

Guaianolides and homoditerpenes from Lasiolaena morii

Seseli buchtormense

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stated in

Components of Libanotis buchtormensis (FISCH.) D.C. fruits

Seseli transcaucasicum

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Oxygen-containing fractions of the essential oil ofLibanotis transcaucasica. II

Osyris quadripartita

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Sesquiterpenes from the east African sandalwood Osyris tenuifolia

Pellia epiphylla

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stated in

Terpenoid constituents of Pellia epiphylla

Pinus pumila

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stated in

Mono- and sesquiterpenoids of the oleoresin ofPinus koraiensis andP. pumila. crystal structure of 1β,4αH,7αH,10βH-Guaiane-5α,14-diol

Thymus camphoratus

1 reference

stated in

Composition and infraspecific variability of essential oil from Thymus camphoratus

Valeriana officinalis

1 reference

stated in

Essential oils from normal and hairy roots of Valeriana officinalis var. sambucifolia

Eleutherococcus senticosus

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Antifatigue activity of the liposoluble fraction from Acanthopanax senticosus

marjoram

1 reference

stated in

Volatile Constituents of Origanum dubium Leaves and Stem-Bark

Matricaria chamomilla

3 references

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A new approach to the production of chamomile extracts

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

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

Populus balsamifera

2 references

stated in

Compositions of Bud and Leaf Exudates of Some Populus Species Compared

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Populus candicans and the Balm of Gilead

Pteronia incana

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Diterpenes and other constituents from Pteronia species

Baccharis salicina

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Sesqui- and diterpenes from Baccharis species

Artemisia adamsii

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Artemisia santolinifolia

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

Artemisia gmelinii

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stated in

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

Eupatorium altissimum

1 reference

stated in

Further heliangolides and guaianolides from Eupatorium altissimum

Isocoma coronopifolia

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stated in

A nor-diterpene and other constituents from Isocoma coronopifolia

Eremanthus erythropappus

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stated in

Sesquiterpene lactones and other constituents from Eremanthus seidelii, E. Goyazensis and Vanillosmopsis erythropappa

Psidium guajava

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stated in

Chemotype diversity of Psidium guajava L

Piper nigrum

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Volatiles of Black Pepper Fruits (Piper nigrum L.).

Santalum spicatum

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stated in

Sesquiterpene Variation in West Australian Sandalwood (Santalum spicatum).

Gaultheria mucronata

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stated in

Volatile oil of Pernettya mucronata and its Antischistosomal Activity

Artemisia stechmanniana

1 reference

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

Osyris lanceolata

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Sesquiterpenes from the east African sandalwood Osyris tenuifolia

Osyris wightiana

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stated in

Sesquiterpenes from the east African sandalwood Osyris tenuifolia

Abies sibirica

1 reference

stated in

α-Bisabolol in needles of the familyPinacae

Populus candicans

2 references

stated in

Populus candicans and the Balm of Gilead

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Compositions of Bud and Leaf Exudates of Some Populus Species Compared

Chamomilla recutita

3 references

stated in

A new approach to the production of chamomile extracts

stated in

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

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

Artemisia chamaemelifolia

1 reference

stated in

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

Pernettya mucronata

1 reference

stated in

Volatile oil of Pernettya mucronata and its Antischistosomal Activity

Origanum dubium

1 reference

stated in

Volatile Constituents of Origanum dubium Leaves and Stem-Bark

celery

1 reference

stated in

HS-SPME analysis of the volatiles profile of water celery (Apium nodiflorum), a wild vegetable with increasing culinary interest

Wild Carrot

1 reference

stated in

(E)-Methylisoeugenol and elemicin: antibacterial components of Daucus carota L. essential oil against Campylobacter jejuni

Panax ginseng

1 reference

stated in

Determination of radix ginseng volatile oils at different ages by comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry

Chamaemelum nobile

1 reference

stated in

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

Rosmarinus officinalis

1 reference

stated in

Rosemary (Rosmarinus officinalis): a study of the composition, antioxidant and antimicrobial activities of extracts obtained with supercritical carbon dioxide

Murraya paniculata

2 references

stated in

Composition of essential oil, concrete, absolute, wax and headspace volatiles ofMurrarya paniculata (Linn.) Jack flowers

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Chemical Composition of Leaf Essential Oil of Wild and Domestic Genotypes of Murraya paniculata L.

Santalum album

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stated in

Essential Oils Composition from Roots of Santalum album L.

Taiwania cryptomerioides

1 reference

stated in

Profiling of volatile compounds from five interior decoration timbers in Taiwan using TD/GC–MS/FID

Zingiber officinale

2 references

stated in

Supercritical fluid extraction of australian-grown ginger (Zingiber officinale)

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Determination of volatile components in ginger using gas chromatography-mass spectrometry with resolution improved by data processing techniques

Salvia reflexa

1 reference

stated in

A chemometric assessment of essential oil variation of three Salvia species indigenous to South Africa

Populus alba

2 references

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Populus candicans and the Balm of Gilead

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Compositions of Bud and Leaf Exudates of Some Populus Species Compared

Identifiers

InChI

InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m0/s1

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InChIKey

RGZSQWQPBWRIAQ-LSDHHAIUSA-N

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1 reference

26 December 2021

mapping relation type

exact match

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stated in

ChEBI release 2022-06-13

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DSSTOX compound identifier

DTXCID3025964

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EC number

208-205-9

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ECHA Substance Infocard ID

100.007.461

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stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.007.461

retrieved

29 December 2019

title

(R*,R*)-α,4-dimethyl-α-(4-methyl-3-pentenyl)cyclohex-3-ene-1-methanol (English)

quotation

CAS no.: 515-69-5 (English)

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28 December 2019

BISABOLOL (English)

CAS no.: 515-69-5 (English)

AICS Chemical ID (BEING DELETED)

4634

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Human Metabolome Database ID

HMDB0036198

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based on heuristic

inferred from InChIKey

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(Q72443959)

alpha-Bisabolol

Statements

Identifiers

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