.BETA.-THUJAPLICINOL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H12O3
Molecular Weight	180.2005
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .BETA.-THUJAPLICINOL

Structure Search

SMILES

CC(C)C1=CC=C(O)C(=O)C(O)=C1

InChI

InChIKey=HVGNSPLLPQWYGC-UHFFFAOYSA-N

InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)

HIDE SMILES / InChI

Molecular Formula	C10H12O3
Molecular Weight	180.2005
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:50:57 GMT 2025` Edited by `admin` on `Tue Apr 01 19:50:57 GMT 2025`
Record UNII	UW241P2H16
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

.BETA.-THUJAPLICINOL

Systematic Name

English

NSC-18806

Preferred Name

English

2,4,6-CYCLOHEPTATRIEN-1-ONE, 2,7-DIHYDROXY-4-ISOPROPYL-

Common Name

English

2,7-DIHYDROXY-4-(1-METHYLETHYL)-2,4,6-CYCLOHEPTATRIEN-1-ONE

Systematic Name

English

2,4,6-CYCLOHEPTATRIEN-1-ONE, 2,7-DIHYDROXY-4-(1-METHYLETHYL)-

Systematic Name

English

Code System Code Type Description

NSC

18806

Created by admin on Tue Apr 01 19:50:57 GMT 2025 , Edited by admin on Tue Apr 01 19:50:57 GMT 2025

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FDA UNII

UW241P2H16

Created by admin on Tue Apr 01 19:50:57 GMT 2025 , Edited by admin on Tue Apr 01 19:50:57 GMT 2025

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PUBCHEM

72605

Created by admin on Tue Apr 01 19:50:57 GMT 2025 , Edited by admin on Tue Apr 01 19:50:57 GMT 2025

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EPA CompTox

DTXSID70195876

Created by admin on Tue Apr 01 19:50:57 GMT 2025 , Edited by admin on Tue Apr 01 19:50:57 GMT 2025

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CAS

4356-35-8

Created by admin on Tue Apr 01 19:50:57 GMT 2025 , Edited by admin on Tue Apr 01 19:50:57 GMT 2025

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