Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0M2EM
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| Former ID |
DNC005435
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| Drug Name |
BENZOQUINONE
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| Synonyms |
p-benzoquinone; Benzoquinone; 1,4-BENZOQUINONE; Quinone; 106-51-4; p-Quinone; Chinone; 2,5-Cyclohexadiene-1,4-dione; para-Benzoquinone; cyclohexa-2,5-diene-1,4-dione; Cyclohexadienedione; para-Quinone; 1,4-Benzoquine; Steara pbq; 1,4-Dioxybenzene; p-Chinon; 1,4-Cyclohexadienedione; Benzo-chinon; Benzo-1,4-quinone; 1,4-Diossibenzene; Chinon; 1,4-Dioxy-benzol; 1,4-Cyclohexadiene dioxide; Semiquinone anion; semiquinone radicals; RCRA waste number U197; p-Chinon [German]; NCI-C55845; Caswell No. 719C; Benzo-chinon [German]; USAF P-220
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C6H4O2
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| Canonical SMILES |
C1=CC(=O)C=CC1=O
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| InChI |
1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
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| InChIKey |
AZQWKYJCGOJGHM-UHFFFAOYSA-N
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| CAS Number |
CAS 106-51-4
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| PubChem Compound ID | ||||
| PubChem Substance ID |
3755, 93045, 588828, 596037, 3132090, 5350273, 8143530, 8152856, 10503286, 11110830, 14709502, 15321165, 17390020, 17404683, 24847521, 24891552, 29223739, 38270127, 47662429, 48413275, 48421719, 48422735, 48425556, 49846588, 49854611, 50105510, 50105511, 53777226, 53787812, 57322374, 57390928, 57551963, 57653913, 58035064, 79192896, 80953851, 85084076, 85230932, 85272565, 87563289, 87563860, 88803592, 90340661, 92303652, 93617035, 103167124, 104307024, 104668388, 117689055, 118052878
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| ChEBI ID |
CHEBI:16509
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Acetylcholinesterase (AChE) | Target Info | Inhibitor | [2] |
| Cholinesterase (BCHE) | Target Info | Inhibitor | [2] | |
| KEGG Pathway | Glycerophospholipid metabolism | |||
| Cholinergic synapse | ||||
| Panther Pathway | Muscarinic acetylcholine receptor 1 and 3 signaling pathway | |||
| Muscarinic acetylcholine receptor 2 and 4 signaling pathway | ||||
| Nicotinic acetylcholine receptor signaling pathway | ||||
| Pathwhiz Pathway | Phospholipid Biosynthesis | |||
| Pathway Interaction Database | ATF-2 transcription factor network | |||
| WikiPathways | Monoamine Transport | |||
| Biogenic Amine Synthesis | ||||
| Acetylcholine Synthesis | ||||
| Integrated Pancreatic Cancer Pathway | ||||
| Irinotecan Pathway | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6307). | |||
| REF 2 | 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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