(Q27451463)

(4E,6Z)-7-(3-{[3,4-Bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethyl-4,6-nonadien-3-ol (English)

19 October 2016

chemical formula

C₂₆H₃₄O₄

1 reference

stated in

RCSB protein data bank

PDB ligand ID

0VO

16 February 2021

canonical SMILES

CCC(=CC=CC(CC)(CC)O)C1=CC=CC(=C1)OCC2=CC=C(C(=C2)CO)CO

1 reference

(4E,6Z)-7-(3-{[3,4-Bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethyl-4,6-nonadien-3-ol (English)

InChI=1S/C26H34O4/c1-4-21(10-8-14-26(29,5-2)6-3)22-9-7-11-25(16-22)30-19-20-12-13-23(17-27)24(15-20)18-28/h7-16,27-29H,4-6,17-19H2,1-3H3/b14-8?,21-10-

19 October 2016

isomeric SMILES

CC/C(=C/C=CC(O)(CC)CC)c1cccc(OCc2ccc(CO)c(CO)c2)c1

0 references

Identifiers

InChI

1 reference

(4E,6Z)-7-(3-{[3,4-Bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethyl-4,6-nonadien-3-ol (English)

ZPQGIRYXMGFFNL-PKSQTMKJSA-N

19 October 2016

InChIKey

1 reference

(4E,6Z)-7-(3-{[3,4-Bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethyl-4,6-nonadien-3-ol (English)

19 October 2016

1 reference

(4E,6Z)-7-(3-{[3,4-Bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethyl-4,6-nonadien-3-ol (English)

19 October 2016

0 references

1 reference

4G1Y (English)