| General Property |
| Molceule ID (DB) | EGIN0003289 |
| Inhibitor Class | Quinone |
| Molecule Name in Refrence Article | 27 compound |
| IUPAC Name | 2-[(1E,4aR,8aS)-decahydronaphthalen-1-ylidenemethyl]-6-methoxycyclohexa-2,5-diene-1,4-dione |
| Formula | C18H22O3 |
| Mass | 286.3655 |
| Exact Mass | 286.1568946 |
| Composition | C (75.5%), H (7.74%), O (16.76%) |
| Atom Count | 43 |
| PI | 8.01 |
| Smiles | C1(=CC(=O)C=C(C1=O)OC)/C=C1/[C@@H]2[C@@H](CCC1)CCCC2 |
| InChI | 1S/C18H22O3/c1-21-17-11-15(19)10-14(18(17)20)9-13-7-4-6-12-5-2-3-8-16(12)13/h9-12,16H,2-8H2,1H3/b13-
9+/t12-,16+/m1/s1 |
| InChIKey | GHGGSEOJMIIUDQ-NGOVVIEOSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 12825933 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Tie | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 9305009 |
| ChEMBL Link | CHEMBL98934 |
