PDB CCD ID: | SNY |
Number of entries in BioLiP: | 4 |
Chemical formula: | C11 H12 O4 |
InChI: | InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+ |
InChIKey: | CDICDSOGTRCHMG-ONEGZZNKSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.7.0 | COc1cc(cc(c1O)OC)C=CC=O | OpenEye OEToolkits 1.7.0 | COc1cc(cc(c1O)OC)/C=C/C=O | ACDLabs 12.01 | O=C\C=C\c1cc(OC)c(O)c(OC)c1 | CACTVS 3.370 | COc1cc(\C=C\C=O)cc(OC)c1O | CACTVS 3.370 | COc1cc(C=CC=O)cc(OC)c1O |
|
Name: | (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal; Sinapaldehyde |
ChEMBL: | CHEMBL225067 |
ZINC: | ZINC000001530242 |