(Q105273888)

English

(E)-1-[(2S,4S,4aR,5R,10bR)-10-hydroxy-4,5-bis(4-hydroxyphenyl)-2-[2-(4-hydroxyphenyl)ethyl]-8-methoxy-1,2,4,4a,5,10b-hexahydropyrano[3,4-c]chromen-7-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one

chemical compound

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instance of

type of chemical entity

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subclass of

1-[10-Hydroxy-4,5-bis(4-hydroxyphenyl)-2-[2-(4-hydroxyphenyl)ethyl]-8-methoxy-1,2,4,4a,5,10b-hexahydropyrano[3,4-c]chromen-7-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one

1 reference

based on heuristic

inferred from SMILES

mass

686.251582796 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₂H₃₈O₉

0 references

canonical SMILES

O=C(C=CC1=CC=C(O)C=C1)C=2C(OC)=CC(O)=C3C2OC(C4=CC=C(O)C=C4)C5C(OC(CCC6=CC=C(O)C=C6)CC35)C7=CC=C(O)C=C7

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isomeric SMILES

COc1cc(O)c2c(c1C(=O)/C=C/c1ccc(O)cc1)O[C@@H](c1ccc(O)cc1)[C@H]1[C@@H](c3ccc(O)cc3)O[C@@H](CCc3ccc(O)cc3)C[C@@H]21

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found in taxon

Alpinia blepharocalyx

1 reference

stated in

Epicalyxin F and calyxin I: two novel antiproliferative diarylheptanoids from the seeds of Alpinia blepharocalyx

Alpinia roxburghii

1 reference

stated in

Epicalyxin F and calyxin I: two novel antiproliferative diarylheptanoids from the seeds of Alpinia blepharocalyx

Identifiers

InChI

InChI=1S/C42H38O9/c1-49-36-23-35(48)37-33-22-32(20-6-24-2-12-28(43)13-3-24)50-40(26-8-16-30(45)17-9-26)38(33)41(27-10-18-31(46)19-11-27)51-42(37)39(36)34(47)21-7-25-4-14-29(44)15-5-25/h2-5,7-19,21,23,32-33,38,40-41,43-46,48H,6,20,22H2,1H3/b21-7+/t32-,33-,38+,40+,41-/m0/s1

0 references

InChIKey

UJEBJUQQVRWYAG-GLQZEUFBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UJEBJUQQVRWYAG-GLQZEUFBSA-N

(Q105273888)

(E)-1-[(2S,4S,4aR,5R,10bR)-10-hydroxy-4,5-bis(4-hydroxyphenyl)-2-[2-(4-hydroxyphenyl)ethyl]-8-methoxy-1,2,4,4a,5,10b-hexahydropyrano[3,4-c]chromen-7-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one

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