SNY

(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal

Created:	2010-10-25
Last modified:	2021-03-01

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1 entries where SNY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	6

2D diagram of SNY

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Chemical Component Summary
Name	(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal
Synonyms	Sinapaldehyde
Systematic Name (OpenEye OEToolkits)	(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enal
Formula	C₁₁ H₁₂ O₄
Molecular Weight	208.211
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C\C=C\c1cc(OC)c(O)c(OC)c1
SMILES	CACTVS	3.370	COc1cc(C=CC=O)cc(OC)c1O
SMILES	OpenEye OEToolkits	1.7.0	COc1cc(cc(c1O)OC)C=CC=O
Canonical SMILES	CACTVS	3.370	COc1cc(\C=C\C=O)cc(OC)c1O
Canonical SMILES	OpenEye OEToolkits	1.7.0	COc1cc(cc(c1O)OC)/C=C/C=O
InChI	InChI	1.03	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	InChI	1.03	CDICDSOGTRCHMG-ONEGZZNKSA-N

Related Resource References

Resource Name	Reference
PubChem	5280802
ChEMBL	CHEMBL225067
ChEBI	CHEBI:27949

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.