ZYC

ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Created:	2010-10-29
Last modified:	2021-03-01

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3 entries where ZYC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	6

2D diagram of ZYC

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Chemical Component Summary
Name	ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Synonyms	ethyl ferulate
Systematic Name (OpenEye OEToolkits)	ethyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
Formula	C₁₂ H₁₄ O₄
Molecular Weight	222.237
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OCC)\C=C\c1cc(OC)c(O)cc1
SMILES	CACTVS	3.370	CCOC(=O)C=Cc1ccc(O)c(OC)c1
SMILES	OpenEye OEToolkits	1.7.0	CCOC(=O)C=Cc1ccc(c(c1)OC)O
Canonical SMILES	CACTVS	3.370	CCOC(=O)\C=C\c1ccc(O)c(OC)c1
Canonical SMILES	OpenEye OEToolkits	1.7.0	CCOC(=O)/C=C/c1ccc(c(c1)OC)O
InChI	InChI	1.03	InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+
InChIKey	InChI	1.03	ATJVZXXHKSYELS-FNORWQNLSA-N

Drug Info: DrugBank

DrugBank ID	DB11285
Name	Ethyl ferulate
Groups	approved experimental
Synonyms	Ethyl 4'-hydroxy-3'-methoxycinnamate Ethyl ferulate
Brand Names	Snowberry
Categories	Acids, Carbocyclic Cinnamates
CAS number	4046-02-0

Related Resource References

Resource Name	Reference
PubChem	736681
ChEMBL	CHEMBL286796

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.