(Q104956185)

English

5-[(2R,3R)-3-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]-7-prop-2-enyl-5-(4-prop-2-enylphenoxy)-2,3-dihydro-1,4-benzodioxin-2-yl]-3-(4-prop-2-enylphenoxy)benzene-1,2-diol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-[3-[[2-(2-Hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]-7-prop-2-enyl-5-(4-prop-2-enylphenoxy)-2,3-dihydro-1,4-benzodioxin-2-yl]-3-(4-prop-2-enylphenoxy)benzene-1,2-diol

1 reference

based on heuristic

inferred from SMILES

mass

826.35056856 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

5-[(2S,3S)-3-({[2'-hydroxy-5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2-yl]oxy}methyl)-7-(prop-2-en-1-yl)-5-[4-(prop-2-en-1-yl)phenoxy]-2,3-dihydro-1,4-benzodioxin-2-yl]-3-[4-(prop-2-en-1-yl)phenoxy]benzene-1,2-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₅₄H₅₀O₈

0 references

canonical SMILES

OC=1C=CC(=CC1C2=CC(=CC=C2OCC3OC4=C(OC5=CC=C(C=C5)CC=C)C=C(C=C4OC3C6=CC(O)=C(O)C(OC7=CC=C(C=C7)CC=C)=C6)CC=C)CC=C)CC=C

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isomeric SMILES

C=CCc1ccc(Oc2cc([C@H]3Oc4cc(CC=C)cc(Oc5ccc(CC=C)cc5)c4O[C@@H]3COc3ccc(CC=C)cc3-c3cc(CC=C)ccc3O)cc(O)c2O)cc1

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found in taxon

Magnolia obovata

2 references

stated in

Structure of Magnolianin, a novel trilignan possessing potent 5-lipoxygenase inhibitory activity

stated in

Effects of constituents from the bark of Magnolia obovata on nitric oxide production in lipopolysaccharide-activated macrophages

Identifiers

InChI

InChI=1S/C54H50O8/c1-6-11-35-16-22-41(23-17-35)59-48-33-40(32-46(56)52(48)57)53-51(34-58-47-27-21-38(14-9-4)29-44(47)43-28-37(13-8-3)20-26-45(43)55)62-54-49(30-39(15-10-5)31-50(54)61-53)60-42-24-18-36(12-7-2)19-25-42/h6-10,16-33,51,53,55-57H,1-5,11-15,34H2/t51-,53-/m1/s1

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InChIKey

CEXVGDLGKOJDMY-CWKLFTOFSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

CEXVGDLGKOJDMY-CWKLFTOFSA-N

1 reference

(Q104956185)

5-[(2R,3R)-3-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]-7-prop-2-enyl-5-(4-prop-2-enylphenoxy)-2,3-dihydro-1,4-benzodioxin-2-yl]-3-(4-prop-2-enylphenoxy)benzene-1,2-diol

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