(Q104944025)

English

(2R,3S)-2-(3-hydroxy-5-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide

chemical compound

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instance of

type of chemical entity

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subclass of

2-(3-hydroxy-5-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide

1 reference

based on heuristic

inferred from SMILES

mass

624.247166112 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₃₆N₂O₈

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canonical SMILES

COc1cc(O)cc(C2Oc3c(OC)cc(C=CC(=O)NCCc4ccc(O)cc4)cc3C2C(=O)NCCc2ccc(O)cc2)c1

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isomeric SMILES

COc1cc(O)cc([C@@H]2Oc3c(OC)cc(/C=C/C(=O)NCCc4ccc(O)cc4)cc3[C@@H]2C(=O)NCCc2ccc(O)cc2)c1

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found in taxon

Mitrephora thorelii

1 reference

stated in

Lignanamides and Sesquiterpenoids from Stems ofMitrephora thorelii

Mitrephora tomentosa

1 reference

stated in

Lignanamides and Sesquiterpenoids from Stems ofMitrephora thorelii

Identifiers

InChI

InChI=1S/C36H36N2O8/c1-44-29-20-25(19-28(41)21-29)34-33(36(43)38-16-14-23-5-10-27(40)11-6-23)30-17-24(18-31(45-2)35(30)46-34)7-12-32(42)37-15-13-22-3-8-26(39)9-4-22/h3-12,17-21,33-34,39-41H,13-16H2,1-2H3,(H,37,42)(H,38,43)/b12-7+/t33-,34-/m0/s1

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InChIKey

BPTUEFHHKWWGMV-XQNSOVPUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BPTUEFHHKWWGMV-XQNSOVPUSA-N

(Q104944025)

(2R,3S)-2-(3-hydroxy-5-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide

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