Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0Z1WQ
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| Former ID |
DNC005436
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| Drug Name |
3,5-Di-tert-butyl-[1,2]benzoquinone
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| Synonyms |
3383-21-9; 3,5-Di-tert-butyl-o-benzoquinone; 3,5-Di-tert-butyl-1,2-benzoquinone; 3,5-di(tert-butyl)benzo-1,2-quinone; 3,5-Cyclohexadiene-1,2-dione, 3,5-bis(1,1-dimethylethyl)-; 3,5-di-tert-butylcyclohexa-3,5-diene-1,2-dione; o-Benzoquinone, 3,5-di-tert-butyl-; 3,5-di-tert-butylbenzo-1,2-quinone; NOUZOVBGCDDMSX-UHFFFAOYSA-N; 3,5-di-t-butyl-1,2-benzoquinone; 3,5-Ditert-butylbenzo-1,2-quinone; MFCD00001647; 3,5-bis(tert-butyl)cyclohexa-3,5-diene-1,2-dione; Benzil-related compound, 54; EINECS 222-189-0; NSC 149061; AC1Q6BRK
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C14H20O2
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| Canonical SMILES |
CC(C)(C)C1=CC(=O)C(=O)C(=C1)C(C)(C)C
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| InChI |
1S/C14H20O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8H,1-6H3
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| InChIKey |
NOUZOVBGCDDMSX-UHFFFAOYSA-N
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| CAS Number |
CAS 3383-21-9
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Liver carboxylesterase (CES1) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Drug metabolism - other enzymes | |||
| Metabolic pathways | ||||
| Pathway Interaction Database | E2F transcription factor network | |||
| WikiPathways | NRF2 pathway | |||
| Nuclear Receptors Meta-Pathway | ||||
| Heroin metabolism | ||||
| Irinotecan Pathway | ||||
| Fluoropyrimidine Activity | ||||
| Phase I biotransformations, non P450 | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases. J Med Chem. 2005 Apr 21;48(8):2906-15. | |||
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