(Q105178584)

English

(E)-N-[4-[(2S,3S,6R,7S,8S)-2,3-dihydroxy-12,14-dimethoxy-8-(4-methoxyphenyl)-5-oxo-7-phenyl-9-oxa-4-azatetracyclo[8.4.0.02,6.03,8]tetradeca-1(10),11,13-trien-4-yl]butyl]-4-hydroxy-2-methylbut-2-enamide

chemical compound

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instance of

type of chemical entity

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subclass of

N-[4-[2,3-dihydroxy-12,14-dimethoxy-8-(4-methoxyphenyl)-5-oxo-7-phenyl-9-oxa-4-azatetracyclo[8.4.0.02,6.03,8]tetradeca-1(10),11,13-trien-4-yl]butyl]-4-hydroxy-2-methylbut-2-enamide

1 reference

based on heuristic

inferred from SMILES

mass

644.27338086 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₀N₂O₉

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canonical SMILES

COc1ccc(C23Oc4cc(OC)cc(OC)c4C4(O)C(C(=O)N(CCCCNC(=O)C(C)=CCO)C42O)C3c2ccccc2)cc1

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isomeric SMILES

COc1ccc([C@]23Oc4cc(OC)cc(OC)c4[C@@]4(O)[C@H](C(=O)N(CCCCNC(=O)/C(C)=C/CO)[C@]42O)[C@H]3c2ccccc2)cc1

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found in taxon

Aglaia cucullata

1 reference

stated in

Constituents of Amoora cucullata with TRAIL resistance-overcoming activity

Identifiers

InChI

InChI=1S/C36H40N2O9/c1-22(16-19-39)32(40)37-17-8-9-18-38-33(41)31-29(23-10-6-5-7-11-23)35(24-12-14-25(44-2)15-13-24)36(38,43)34(31,42)30-27(46-4)20-26(45-3)21-28(30)47-35/h5-7,10-16,20-21,29,31,39,42-43H,8-9,17-19H2,1-4H3,(H,37,40)/b22-16+/t29-,31+,34-,35-,36+/m1/s1

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InChIKey

NFOAYVRECJYCQM-OJZFVGMUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NFOAYVRECJYCQM-OJZFVGMUSA-N

(Q105178584)

(E)-N-[4-[(2S,3S,6R,7S,8S)-2,3-dihydroxy-12,14-dimethoxy-8-(4-methoxyphenyl)-5-oxo-7-phenyl-9-oxa-4-azatetracyclo[8.4.0.02,6.03,8]tetradeca-1(10),11,13-trien-4-yl]butyl]-4-hydroxy-2-methylbut-2-enamide

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