.BETA.-THUJAPLICIN

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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 UTC 2023` Edited by `admin` on `Fri Dec 15 18:12:25 UTC 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 UTC 2023 , Edited by admin on Fri Dec 15 18:12:25 UTC 2023

PRIMARY

PUBCHEM

3611

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

PRIMARY

ECHA (EC/EINECS)

207-880-7

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

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WIKIPEDIA

HINOKITIOL

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

PRIMARY

CHEBI

10447

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

PRIMARY

MESH

C009479

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

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MERCK INDEX

m10814

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

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Merck Index

RXCUI

1312538

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

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SMS_ID

100000172387

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

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DAILYMED

U5335D6EBI

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

PRIMARY

EPA CompTox

DTXSID6043911

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

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FDA UNII

U5335D6EBI

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

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NSC

18804

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

PRIMARY

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SODIUM HINOKITIOL

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