U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

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

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
2.76 µM [IC50]
24.0 µM [IC50]
61.0 µM [IC50]
90.0 nM [IC50]
15.44 nM [Ki]
177.95 nM [Ki]
Name Type Language
.BETA.-THUJAPLICIN
MI  
Common Name English
NSC-18804
Code English
.BETA.-THUJAPLICIN [MI]
Common Name English
4-ISOPROPYLTROPOLONE
Common Name English
HINOKITIOL
INCI   WHO-DD  
INCI  
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