General Information of the Compound
| Compound ID |
CP0115244
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| Compound Name |
1,4-Benzoquinone
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| Synonyms |
1,4-BENZOQUINONE
1,4-Benzoquine
1,4-Cyclohexadiene dioxide
1,4-Cyclohexadienedione
1,4-Diossibenzene
1,4-Dioxy-benzol
1,4-Dioxybenzene
106-51-4
2,5-Cyclohexadiene-1,4-dione
BENZOQUINONE
Benzo-1,4-quinone
Benzo-chinon
Benzo-chinon [German]
Benzoquinone
Caswell No. 719C
Chinon
Chinone
Cyclohexadienedione
NCI-C55845
Quinone
RCRA waste number U197
Semiquinone anion
Steara pbq
USAF P-220
cyclohexa-2,5-diene-1,4-dione
p-Chinon
p-Chinon [German]
p-Quinone
p-benzoquinone
para-Benzoquinone
para-Quinone
semiquinone radicals
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| Structure |
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| Formula |
C6H4O2
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| Molecular Weight |
108.096
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| Canonical SMILES |
O=C1C=CC(=O)C=C1
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| InChI |
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 |
19052-63-2
3225-29-4
51226-74-5
54560-36-0
106-51-4
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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: PT06969, Dual specificity protein phosphatase 1
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000072 | A2780 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 7800 nM
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Clinical Information about the Compound