.BETA.-THUJAPLICIN

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Possibly Marketed Outside US

Possibly Marketed Outside US

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H12O2
Molecular Weight	164.2011
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .BETA.-THUJAPLICIN

Structure Search

SMILES

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

InChI

InChIKey=FUWUEFKEXZQKKA-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C10H12O2
Molecular Weight	164.2011
Charge	0
Count

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

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Carboxypeptidase A1 2 Target ID: CHEMBL3481 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14519960	Inhibitor 8297		2.76 µM [IC50]
Collagenase 5 Target ID: CHEMBL2268009 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14519960	Inhibitor 8297		24.0 µM [IC50]
Thermolysin 2 Target ID: CHEMBL3392 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14519960	Inhibitor 8297		61.0 µM [IC50]
Tyrosinase 41 Target ID: CHEMBL3318 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20947360	Inhibitor 8297		90.0 nM [IC50]
Histone deacetylase 2 37 Target ID: CHEMBL1937 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24900743	Inhibitor 8297		15.44 nM [Ki]
Histone deacetylase 8 17 Target ID: CHEMBL3192 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24900743	Inhibitor 8297		177.95 nM [Ki]

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:12:25 GMT 2023` Edited by `admin` on `Fri Dec 15 18:12:25 GMT 2023`
Record UNII	U5335D6EBI
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

.BETA.-THUJAPLICIN

Common Name

English

NSC-18804

Code

English

.BETA.-THUJAPLICIN [MI]

Common Name

English

4-ISOPROPYLTROPOLONE

Common Name

English

HINOKITIOL

Official Name

English

2-HYDROXY-4-(1-METHYLETHYL)-2,4,6-CYCLOHEPTATRIEN-1-ONE

Systematic Name

English

Hinokitiol [WHO-DD]

Common Name

English

HINOKITIOL [INCI]

Common Name

English

Code System Code Type Description

CAS

499-44-5

Created by admin on Fri Dec 15 18:12:25 GMT 2023 , Edited by admin on Fri Dec 15 18:12:25 GMT 2023

PRIMARY

PUBCHEM

3611

Created by admin on Fri Dec 15 18:12:25 GMT 2023 , Edited by admin on Fri Dec 15 18:12:25 GMT 2023

PRIMARY

ECHA (EC/EINECS)

207-880-7

Created by admin on Fri Dec 15 18:12:25 GMT 2023 , Edited by admin on Fri Dec 15 18:12:25 GMT 2023

PRIMARY

WIKIPEDIA

HINOKITIOL

Created by admin on Fri Dec 15 18:12:25 GMT 2023 , Edited by admin on Fri Dec 15 18:12:25 GMT 2023

PRIMARY

CHEBI

10447

Created by admin on Fri Dec 15 18:12:25 GMT 2023 , Edited by admin on Fri Dec 15 18:12:25 GMT 2023

PRIMARY

MESH

C009479

Created by admin on Fri Dec 15 18:12:25 GMT 2023 , Edited by admin on Fri Dec 15 18:12:25 GMT 2023

PRIMARY

MERCK INDEX

m10814

Created by admin on Fri Dec 15 18:12:25 GMT 2023 , Edited by admin on Fri Dec 15 18:12:25 GMT 2023

PRIMARY

Merck Index

RXCUI

1312538

Created by admin on Fri Dec 15 18:12:25 GMT 2023 , Edited by admin on Fri Dec 15 18:12:25 GMT 2023

PRIMARY

SMS_ID

100000172387

Created by admin on Fri Dec 15 18:12:25 GMT 2023 , Edited by admin on Fri Dec 15 18:12:25 GMT 2023

PRIMARY

DAILYMED

U5335D6EBI

Created by admin on Fri Dec 15 18:12:25 GMT 2023 , Edited by admin on Fri Dec 15 18:12:25 GMT 2023

PRIMARY

EPA CompTox

DTXSID6043911

Created by admin on Fri Dec 15 18:12:25 GMT 2023 , Edited by admin on Fri Dec 15 18:12:25 GMT 2023

PRIMARY

FDA UNII

U5335D6EBI

Created by admin on Fri Dec 15 18:12:25 GMT 2023 , Edited by admin on Fri Dec 15 18:12:25 GMT 2023

PRIMARY

NSC

18804

Created by admin on Fri Dec 15 18:12:25 GMT 2023 , Edited by admin on Fri Dec 15 18:12:25 GMT 2023

PRIMARY

Related Record Type Details


					5MPS47D679

SODIUM HINOKITIOL

SALT/SOLVATE -> PARENT