(Q104949907)

English

(1R,2S)-2-[4-[(2R,3S,4R,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-(3,4-dimethoxyphenyl)propan-1-ol

chemical compound

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instance of

type of chemical entity

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subclass of

2-[4-[5-(1,3-Benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-(3,4-dimethoxyphenyl)propan-1-ol

1 reference

based on heuristic

inferred from SMILES

mass

536.241018112 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2R)-2-[4-[(2S,3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-(3,4-dimethoxyphenyl)propan-1-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2R)-2-[4-[(2S,3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyl-tetrahydrofuran-2-yl]-2-methoxy-phenoxy]-1-(3,4-dimethoxyphenyl)propan-1-ol

1 reference

based on heuristic

inferred from InChI

(1R,2R)-2-[4-[(2R,3S,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-(3,4-dimethoxyphenyl)propan-1-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₃₆O₈

0 references

canonical SMILES

OC(C1=CC=C(OC)C(OC)=C1)C(OC2=CC=C(C=C2OC)C3OC(C4=CC=C5OCOC5=C4)C(C)C3C)C

0 references

isomeric SMILES

COc1ccc([C@@H](O)[C@H](C)Oc2ccc([C@@H]3O[C@H](c4ccc5c(c4)OCO5)[C@H](C)[C@@H]3C)cc2OC)cc1OC

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found in taxon

Saururus chinensis

1 reference

stated in

Lignans from Saururus chinensis inhibiting the transcription factor NF-kappaB.

Identifiers

InChI

InChI=1S/C31H36O8/c1-17-18(2)31(22-8-11-24-28(15-22)37-16-36-24)39-30(17)21-9-12-25(27(14-21)35-6)38-19(3)29(32)20-7-10-23(33-4)26(13-20)34-5/h7-15,17-19,29-32H,16H2,1-6H3/t17-,18+,19-,29-,30+,31-/m0/s1

0 references

InChIKey

BYTPMMJRDFCGKX-HEPPIWBXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BYTPMMJRDFCGKX-HEPPIWBXSA-N

(Q104949907)

(1R,2S)-2-[4-[(2R,3S,4R,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-(3,4-dimethoxyphenyl)propan-1-ol

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