7-demethoxylegonol-2-methylbutanoate (Q27137893)

CHEMBL1834811 (English)

3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propyl (2R)-2-methylbutanoate

7 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₄O₅

1 reference

CHEMBL1834811 (English)

7 October 2016

canonical SMILES

CCC(C)C(=O)OCCCC1=CC2=C(C=C1)OC(=C2)C3=CC4=C(C=C3)OCO4

1 reference

CHEMBL1834811 (English)

7 October 2016

isomeric SMILES

CC[C@H](C)C(=O)OCCCC1=CC2=C(C=C1)OC(=C2)C3=CC4=C(C=C3)OCO4

1 reference

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

CHEMBL1834811 (English)

7 October 2016

2 references

stated in

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

Identifiers

InChI

InChI=1S/C23H24O5/c1-3-15(2)23(24)25-10-4-5-16-6-8-19-18(11-16)13-21(28-19)17-7-9-20-22(12-17)27-14-26-20/h6-9,11-13,15H,3-5,10,14H2,1-2H3/t15-/m0/s1

1 reference

CHEMBL1834811 (English)

MBOVWBBJDJPNSN-HNNXBMFYSA-N

7 October 2016

InChIKey

2 references

CHEMBL1834811 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-[2-(1,3-Benzodioxol-5-yl)-1-benzofuran-5-yl]propyl (2S)-2-methylbutanoate (English)

7 October 2016

2 references

CHEMBL1834811 (English)

matched by identifier from

7 October 2016

InChIKey

MBOVWBBJDJPNSN-HNNXBMFYSA-N

Reaxys registry number

22007789

1 reference

7-demethoxylegonol-2-methylbutanoate (English)

7 October 2016

ChEBI ID

69551

mapping relation type

2 references

7-demethoxylegonol-2-methylbutanoate (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C23H24O5/c1-3-15(2)23(24)25-10-4-5-16-6-8-19-18(11-16)13-21(28-19)17-7-9-20-22(12-17)27-14-26-20/h6-9,11-13,15H,3-5,10,14H2,1-2H3/t15-/m0/s1

1 reference