ANETHOLE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H12O
Molecular Weight	148.2017
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of ANETHOLE

Structure Search

SMILES

COC1=CC=C(\C=C\C)C=C1

InChI

InChIKey=RUVINXPYWBROJD-ONEGZZNKSA-N

InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+

HIDE SMILES / InChI

Molecular Formula	C10H12O
Molecular Weight	148.2017
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:20:38 UTC 2023` Edited by `admin` on `Fri Dec 15 15:20:38 UTC 2023`
Record UNII	Q3JEK5DO4K
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ANETHOLE

Official Name

English

ANETHOLE (NATURAL)

Common Name

English

(E)-ANETHOLE

Systematic Name

English

ANETHOLE, (E)-

Systematic Name

English

BENZENE, 1-METHOXY-4-(1-PROPENYL)-, (E)-

Common Name

English

Anethole [WHO-DD]

Common Name

English

MONASIRUP

Brand Name

English

ANETHOLE [MI]

Common Name

English

ANETHOLE [II]

Common Name

English

ANETHOLE, TRANS-

Systematic Name

English

NSC-209529

Code

English

ANETHOLE [VANDF]

Common Name

English

TRANS-ANETHOLE

Systematic Name

English

ANETHOLE [FCC]

Common Name

English

TRANS-1-P-ANISYLPROPENE

Common Name

English

TRANS-ANETHOLE [FHFI]

Common Name

English

ANETHOLE [INCI]

Common Name

English

1-METHOXY-4-(1E)-1-PROPEN-1-YLBENZENE

Systematic Name

English

TRANS-P-PROPENYLANISOLE

Common Name

English

FEMA NO. 2086

Code

English

(E)-ANETHOLE (CONSTITUENT OF MYRRH) [DSC]

Common Name

English

ISOESTRAGOLE

Common Name

English

ANETHOLE [USP-RS]

Common Name

English

(E)-P-PROPENYLANISOLE

Common Name

English

ANISE CAMPHOR

Common Name

English

ANETHOLE, TRANS

Common Name

English

Classification Tree Code System Code

EC SCIENTIFIC COMMITTEE ON CONSUMER SAFETY OPINION

SCCS/1459/11

Created by admin on Fri Dec 15 15:20:38 UTC 2023 , Edited by admin on Fri Dec 15 15:20:38 UTC 2023

NCI_THESAURUS

C737

Created by admin on Fri Dec 15 15:20:38 UTC 2023 , Edited by admin on Fri Dec 15 15:20:38 UTC 2023

JECFA EVALUATION

TRANS-ANETHOLE

Created by admin on Fri Dec 15 15:20:38 UTC 2023 , Edited by admin on Fri Dec 15 15:20:38 UTC 2023

Code System Code Type Description

NSC

209529

Created by admin on Fri Dec 15 15:20:38 UTC 2023 , Edited by admin on Fri Dec 15 15:20:38 UTC 2023

PRIMARY

SMS_ID

100000077400

Created by admin on Fri Dec 15 15:20:38 UTC 2023 , Edited by admin on Fri Dec 15 15:20:38 UTC 2023

PRIMARY

NCI_THESAURUS

C76862

Created by admin on Fri Dec 15 15:20:38 UTC 2023 , Edited by admin on Fri Dec 15 15:20:38 UTC 2023

PRIMARY

RS_ITEM_NUM

1035005

Created by admin on Fri Dec 15 15:20:38 UTC 2023 , Edited by admin on Fri Dec 15 15:20:38 UTC 2023

PRIMARY

RXCUI

17881

Created by admin on Fri Dec 15 15:20:38 UTC 2023 , Edited by admin on Fri Dec 15 15:20:38 UTC 2023

PRIMARY

RxNorm

ChEMBL

CHEMBL452630

Created by admin on Fri Dec 15 15:20:38 UTC 2023 , Edited by admin on Fri Dec 15 15:20:38 UTC 2023

PRIMARY

EVMPD

SUB12901MIG

Created by admin on Fri Dec 15 15:20:38 UTC 2023 , Edited by admin on Fri Dec 15 15:20:38 UTC 2023

PRIMARY

ECHA (EC/EINECS)

224-052-0

Created by admin on Fri Dec 15 15:20:38 UTC 2023 , Edited by admin on Fri Dec 15 15:20:38 UTC 2023

PRIMARY

WIKIPEDIA

ANETHOLE

Created by admin on Fri Dec 15 15:20:38 UTC 2023 , Edited by admin on Fri Dec 15 15:20:38 UTC 2023

PRIMARY

CAS

4180-23-8

Created by admin on Fri Dec 15 15:20:38 UTC 2023 , Edited by admin on Fri Dec 15 15:20:38 UTC 2023

PRIMARY

FDA UNII

Q3JEK5DO4K

Created by admin on Fri Dec 15 15:20:38 UTC 2023 , Edited by admin on Fri Dec 15 15:20:38 UTC 2023

PRIMARY

MESH

C006578

Created by admin on Fri Dec 15 15:20:38 UTC 2023 , Edited by admin on Fri Dec 15 15:20:38 UTC 2023

PRIMARY

CHEBI

35616

Created by admin on Fri Dec 15 15:20:38 UTC 2023 , Edited by admin on Fri Dec 15 15:20:38 UTC 2023

PRIMARY

DAILYMED

Q3JEK5DO4K

Created by admin on Fri Dec 15 15:20:38 UTC 2023 , Edited by admin on Fri Dec 15 15:20:38 UTC 2023

PRIMARY

JECFA MONOGRAPH

192

Created by admin on Fri Dec 15 15:20:38 UTC 2023 , Edited by admin on Fri Dec 15 15:20:38 UTC 2023

PRIMARY

MERCK INDEX

m1906

Created by admin on Fri Dec 15 15:20:38 UTC 2023 , Edited by admin on Fri Dec 15 15:20:38 UTC 2023

PRIMARY

Merck Index

PUBCHEM

637563

Created by admin on Fri Dec 15 15:20:38 UTC 2023 , Edited by admin on Fri Dec 15 15:20:38 UTC 2023

PRIMARY

EPA CompTox

DTXSID9020087

Created by admin on Fri Dec 15 15:20:38 UTC 2023 , Edited by admin on Fri Dec 15 15:20:38 UTC 2023

PRIMARY

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Amount:


					3IXW0F6P8W

ELYMUS REPENS ROOT

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Compound measured as 6.80% of the composition of the steam distillate of Elymus repens rhizome as per R Boesel in Planta Medica iss:4 pg:399-400, 1989.

Amount:


					JC71GJ1F3L

MYRRH

PARENT -> CONSTITUENT ALWAYS PRESENT

Qualification:

USP


					6Y89129C8H

ANISE OIL

PARENT -> CONSTITUENT ALWAYS PRESENT

Interaction Type:

ASSAY (GC)

Amount:


					21C2F5E8RE

ANISE

PARENT -> CONSTITUENT ALWAYS PRESENT


					3Z3866YW6P

PAEONIA LACTIFLORA ROOT

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Pure compound identified in the P. lactiflora root steam distillate.

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ANETHOLE OXIDE, TRANS-

METABOLITE TOXIC -> PARENT

Interaction Type:

IN-VIVO

Qualification:

URINE

Related Record Type Details


					Q3JEK5DO4K

ANETHOLE

ACTIVE MOIETY