(-)-(8R,8'S)-3,3',4-trimethoxy-4'-hydroxylignan (Q27136662)

CHEBI:68170 (English)

2-Methoxy-4-[(2R,3S)-2,3-dimethyl-4-(3,4-dimethoxyphenyl)butyl]phenol

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

4-((2S,3S)-4-(3,4-Dimethoxyphenyl)-2,3-dimethylbutyl)-2-methoxyphenol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₈O₄

1 reference

CHEBI:68170 (English)

7 October 2016

canonical SMILES

CC(CC1=CC(=C(C=C1)O)OC)C(C)CC2=CC(=C(C=C2)OC)OC

1 reference

CHEBI:68170 (English)

7 October 2016

isomeric SMILES

C[C@@H](CC1=CC(=C(C=C1)O)OC)[C@H](C)CC2=CC(=C(C=C2)OC)OC

1 reference

Bioactive neolignans and lignans from the bark of Machilus robusta

CHEBI:68170 (English)

7 October 2016

1 reference

Myristica fragrans

1 reference

stated in

Inhibitory Effect of Lignans from Myristica fragrans on LPS-induced NO Production in RAW264.7 Cells

Identifiers

InChI

InChI=1S/C21H28O4/c1-14(10-16-6-8-18(22)20(12-16)24-4)15(2)11-17-7-9-19(23-3)21(13-17)25-5/h6-9,12-15,22H,10-11H2,1-5H3/t14-,15+/m0/s1

1 reference

CHEBI:68170 (English)

NNYAKQAKXHZMKI-LSDHHAIUSA-N

7 October 2016

InChIKey

2 references

CHEBI:68170 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-[(2S,3R)-4-(3,4-Dimethoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol (English)

7 October 2016

2 references

CHEBI:68170 (English)

matched by identifier from

7 October 2016

InChIKey

NNYAKQAKXHZMKI-LSDHHAIUSA-N

Reaxys registry number

7384710

1 reference

(-)-(8R,8'S)-3,3',4-trimethoxy-4'-hydroxylignan (English)

7 October 2016

ChEBI ID

68170

mapping relation type

2 references

(-)-(8R,8'S)-3,3',4-trimethoxy-4'-hydroxylignan (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C21H28O4/c1-14(10-16-6-8-18(22)20(12-16)24-4)15(2)11-17-7-9-19(23-3)21(13-17)25-5/h6-9,12-15,22H,10-11H2,1-5H3/t14-,15+/m0/s1

1 reference