ANETHOLE OXIDE, TRANS-

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C10H12O2
Molecular Weight	164.2011
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ANETHOLE OXIDE, TRANS-

Structure Search

SMILES

COC1=CC=C(C=C1)[C@@H]2O[C@H]2C

InChI

InChIKey=YUWWNQUBHDXKMT-OIBJUYFYSA-N

InChI=1S/C10H12O2/c1-7-10(12-7)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3/t7-,10+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C10H12O2
Molecular Weight	164.2011
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:00:47 UTC 2023` Edited by `admin` on `Sat Dec 16 08:00:47 UTC 2023`
Record UNII	V01850G5GA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANETHOLE OXIDE, TRANS-

Common Name

English

OXIRANE, 2-(4-METHOXYPHENYL)-3-METHYL-, TRANS-

Systematic Name

English

OXIRANE, 2-(4-METHOXYPHENYL)-3-METHYL-, (2R,3R)-REL-

Systematic Name

English

ANETHOLE OXIDE

Systematic Name

English

TRANS-ANETHOLE EPOXIDE

Common Name

English

2.BETA.-METHYL-3.ALPHA.-(4-METHOXYPHENYL)OXIRANE

Systematic Name

English

ANETHOLE OXIDE, TRANS-(±)-

Common Name

English

J540.066J

Code

English

Code System Code Type Description

EPA CompTox

DTXSID50198663

Created by admin on Sat Dec 16 08:00:47 UTC 2023 , Edited by admin on Sat Dec 16 08:00:47 UTC 2023

PRIMARY

FDA UNII

V01850G5GA

Created by admin on Sat Dec 16 08:00:47 UTC 2023 , Edited by admin on Sat Dec 16 08:00:47 UTC 2023

PRIMARY

CAS

50618-02-5

Created by admin on Sat Dec 16 08:00:47 UTC 2023 , Edited by admin on Sat Dec 16 08:00:47 UTC 2023

PRIMARY

CAS

51410-46-9

Created by admin on Sat Dec 16 08:00:47 UTC 2023 , Edited by admin on Sat Dec 16 08:00:47 UTC 2023

NON-SPECIFIC STEREOCHEMISTRY

PUBCHEM

10080713

Created by admin on Sat Dec 16 08:00:47 UTC 2023 , Edited by admin on Sat Dec 16 08:00:47 UTC 2023

PRIMARY

Related Record Type Details


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Interaction Type:

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Qualification:

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ANETHOLE

PARENT -> METABOLITE TOXIC

Interaction Type:

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Qualification:

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