PDB CCD ID: | OX5 |
Number of entries in BioLiP: | 4 |
Chemical formula: | C13 H17 N O3 |
InChI: | InChI=1S/C13H17NO3/c1-13(2,3)8-12(16)17-14-9-10-4-6-11(15)7-5-10/h4-7,9,15H,8H2,1-3H3/b14-9+ |
InChIKey: | IRHAIEVALGHVLW-NTEUORMPSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | CC(C)(C)CC(=O)ON=Cc1ccc(cc1)O | CACTVS 3.341 | CC(C)(C)CC(=O)ON=Cc1ccc(O)cc1 | OpenEye OEToolkits 1.5.0 | CC(C)(C)CC(=O)O/N=C/c1ccc(cc1)O | CACTVS 3.341 | CC(C)(C)CC(=O)O/N=C/c1ccc(O)cc1 | ACDLabs 10.04 | O=C(O\N=C\c1ccc(O)cc1)CC(C)(C)C |
|
Name: | 4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME |
ChEMBL: | CHEMBL256315 |
DrugBank: | DB08335 |
ZINC: | ZINC000034633620 |