egonol-9(Z),12(Z)linoleate (Q27137885)

CHEMBL1834806 (English)

7 October 2016

chemical formula

C₃₇H₄₈O₆

1 reference

CHEMBL1834806 (English)

7 October 2016

canonical SMILES

CCCCCC=CCC=CCCCCCCCC(=O)OCCCC1=CC(=C2C(=C1)C=C(O2)C3=CC4=C(C=C3)OCO4)OC

1 reference

CHEMBL1834806 (English)

7 October 2016

isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCC1=CC(=C2C(=C1)C=C(O2)C3=CC4=C(C=C3)OCO4)OC

1 reference

Benzofurans from Styrax agrestis as acetylcholinesterase inhibitors: structure-activity relationships and molecular modeling studies

CHEMBL1834806 (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C37H48O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-36(38)40-23-18-19-29-24-31-27-33(43-37(31)35(25-29)39-2)30-21-22-32-34(26-30)42-28-41-32/h7-8,10-11,21-22,24-27H,3-6,9,12-20,23,28H2,1-2H3/b8-7-,11-10-

1 reference

CHEMBL1834806 (English)

7 October 2016

2 references

CHEMBL1834806 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

2 references

egonol-9(Z),12(Z)linoleate (English)

7 October 2016

https://commonchemistry.cas.org/detail?cas_rn=1336884-95-7

10 April 2021

1 reference

3-[2-(1,3-Benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl (9Z,12Z)-9,12-octadecadienoate (English)

7 October 2016

2 references

CHEMBL1834806 (English)

matched by identifier from

7 October 2016

Reaxys registry number

22007796

1 reference

egonol-9(Z),12(Z)linoleate (English)

7 October 2016

ChEBI ID

69546

mapping relation type

2 references

egonol-9(Z),12(Z)linoleate (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C37H48O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-36(38)40-23-18-19-29-24-31-27-33(43-37(31)35(25-29)39-2)30-21-22-32-34(26-30)42-28-41-32/h7-8,10-11,21-22,24-27H,3-6,9,12-20,23,28H2,1-2H3/b8-7-,11-10-

1 reference

matched by identifier from

CHEMBL1834806 (English)

7 October 2016

1 reference

1 reference