1'-HYDROXYSAFROLE

Details

Stereochemistry	RACEMIC
Molecular Formula	C10H10O3
Molecular Weight	178.1846
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(C=C)C1=CC2=C(OCO2)C=C1

InChI

InChIKey=VVBJNJFYBCLUAH-UHFFFAOYSA-N

InChI=1S/C10H10O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h2-5,8,11H,1,6H2

HIDE SMILES / InChI

Molecular Formula	C10H10O3
Molecular Weight	178.1846
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

PubMed

Title	Date	PubMed
Structure-activity studies of the hepatocarcinogenicities of alkenylbenzene derivatives related to estragole and safrole on administration to preweanling male C57BL/6J x C3H/HeJ F1 mice.	1987 May 1	3567921
Advantages of human hepatocyte-derived transformants expressing a series of human cytochrome p450 isoforms for genotoxicity examination.	2010 Aug	20507880

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:32:52 GMT 2023` Edited by `admin` on `Sat Dec 16 08:32:52 GMT 2023`
Record UNII	C9B19855E2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1'-HYDROXYSAFROLE

Systematic Name

English

.ALPHA.-VINYL-1,3-BENZODIOXOLE-5-METHANOL

Systematic Name

English

2-(3,4-METHYLENEDIOXYPHENYL)ALLYL ALCOHOL

Systematic Name

English

1'-HYDROXYSAFROLE [HSDB]

Common Name

English

1,3-BENZODIOXOLE-5-(2-PROPEN-1-OL)

Common Name

English

1'-HYDROXYISOSAFROLE

Systematic Name

English

1,2-METHYLENEDIOXY-4-(1-HYDROXYALLYL)BENZENE

Systematic Name

English

PIPERONYL ALCOHOL, .ALPHA.-VINYL-

Systematic Name

English

1,3-BENZODIOXOLE-5-METHANOL, .ALPHA.-ETHENYL-

Systematic Name

English

.ALPHA.-ETHENYL-1,3-BENZODIOXOLE-5-METHANOL

Systematic Name

English

Code System Code Type Description

PUBCHEM

21268