secoisolariciresinol diglucoside (Q4161320)

Secoisolariciresinol diglucoside (English)

14 October 2016

chemical formula

C₃₂H₄₆O₁₆

1 reference

Secoisolariciresinol diglucoside (English)

14 October 2016

canonical SMILES

COC1=C(C=CC(=C1)CC(COC2C(C(C(C(O2)CO)O)O)O)C(CC3=CC(=C(C=C3)O)OC)COC4C(C(C(C(O4)CO)O)O)O)O

1 reference

Secoisolariciresinol diglucoside (English)

14 October 2016

isomeric SMILES

COC1=C(C=CC(=C1)C[C@@H](CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@@H](CC3=CC(=C(C=C3)O)OC)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

1 reference

Biosynthetic pathway to the cancer chemopreventive secoisolariciresinol diglucoside-hydroxymethyl glutaryl ester-linked lignan oligomers in flax (Linum usitatissimum) seed

Secoisolariciresinol diglucoside (English)

14 October 2016

3 references

stated in

Isolation of secoisolariciresinol diglucoside from lignan-containing extract of Linum usitatissimum seeds

stated in

Dietary flaxseed lignan or oil combined with tamoxifen treatment affects MCF-7 tumor growth through estrogen receptor- and growth factor-signaling pathways

has part(s)

oxygen

0 references

carbon

0 references

Identifiers

InChI

InChI=1S/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23+,24+,25+,26+,27-,28-,29+,30+,31+,32+/m0/s1

1 reference

Secoisolariciresinol diglucoside (English)

SBVBJPHMDABKJV-PGCJWIIOSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Secoisolariciresinol diglucoside (English)

14 October 2016

2 references

UNII

T9281L29MV

secoisolariciresinol diglucoside (English)

SBVBJPHMDABKJV-PGCJWIIOSA-N

14 October 2016

InChIKey

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=158932-33-3

1 reference

Secoisolariciresinol diglucoside (English)

14 October 2016

1 reference

Secoisolariciresinol diglucoside (English)

14 October 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

CHEMBL2425486 (English)

14 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

T9281L29MV