General Information of the Compound
| Compound ID |
CP0010068
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| Compound Name |
CHEBI:78886
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| Synonyms |
1,4-Benzenediol, 2-(1,1-dimethylethyl)-
1948-33-0
2-(1,1-Dimethylethyl)-1,4-benzenediol
2-(tert-butyl)benzene-1,4-diol
2-t-Butylhydroquinone
2-tert-Butyl(1,4)hydroquinone
2-tert-Butyl-1,4-benzenediol
2-tert-Butylhydroquinone
2-tert-butylbenzene-1,4-diol
Banox 20BA
Hydroquinone, tert-butyl-
MTBHQ
Mono-tert-butylhydroquinone
Mono-tertiarybutylhydroquinone
Sustane
T-BUTYLHYDROQUINONE
TBHQ
Tenox TBHQ
Tert-Butylhydroquinone
t-Butyl hydroquinone
tert-Butyl-1,4-benzenediol
tert-Butylhydroquinone
tertiary-Butylhydroquinone
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| Structure |
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| Formula |
C10H14O2
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| Molecular Weight |
166.22
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| Canonical SMILES |
CC(C)(C)c1cc(O)ccc1O
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| InChI |
InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3
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| InChIKey |
BGNXCDMCOKJUMV-UHFFFAOYSA-N
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| CAS |
1948-33-0
123477-69-0
140627-33-4
29863-17-0
68816-56-8
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT04367, Nuclear factor erythroid 2-related factor 2
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2
Clinical Information about the Compound
Drug 1 ( 2-tert-butylbenzene-1,4-diol )
| Drug Name | 2-tert-butylbenzene-1,4-diol | ||
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| Target(s) |
Influenza Hemagglutinin (Influ HA)
Inhibitor
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