IMW
2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione
Find entries where: IMW
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione |
| Synonyms | Thymoquinone; 2-isopropyl-5-methylbenzo-1,4-quinone |
| Identifiers | 2-methyl-5-propan-2-yl-cyclohexa-2,5-diene-1,4-dione |
| Formula | C10 H12 O2 |
| Molecular Weight | 164.201 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC1=CC(=O)C(=CC1=O)C(C)C |
| InChI | InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3 |
| InChIKey | KEQHJBNSCLWCAE-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 24 |
| Chiral Atom Count | 0 |
| Bond Count | 24 |
| Aromatic Bond Count | 0 |
Drug Info: DrugBank
| DrugBank ID | DB16447 |
|---|---|
| Name | Thymoquinone |
| Groups | investigational |
| Description | Thymoquinone is a natural compound with widespread protective effects, including anti-oxidative, anti-inflammatory, immunomodulatory, anti-cancer, and anti-microbial. |
| Synonyms |
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| Categories |
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| CAS number | 490-91-5 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 10281 |
| ChEMBL | CHEMBL1672002 |
| ChEBI | CHEBI:113532 |
| CCDC/CSD | NIDKER |
