Y7R

(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate

Created:	2023-02-22
Last modified:	2023-03-29

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1 entries where Y7R is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	0

2D diagram of Y7R

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Chemical Component Summary
Name	(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate
Synonyms	(2E,6E)-farnesyl acetate
Systematic Name (OpenEye OEToolkits)	[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl] ethanoate
Formula	C₁₇ H₂₈ O₂
Molecular Weight	264.403
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(=O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C
SMILES	CACTVS	3.385	CC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C
SMILES	OpenEye OEToolkits	2.0.7	CC(=CCCC(=CCCC(=CCOC(=O)C)C)C)C
Canonical SMILES	CACTVS	3.385	CC(=O)OC\C=C(C)\CC/C=C(C)/CCC=C(C)C
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=CCC/C(=C/CC/C(=C/COC(=O)C)/C)/C)C
InChI	InChI	1.06	InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+
InChIKey	InChI	1.06	ZGIGZINMAOQWLX-NCZFFCEISA-N

Related Resource References

Resource Name	Reference
PubChem	638500
ChEMBL	CHEMBL3184169
ChEBI	CHEBI:186251

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.