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Substance Name: 3'-Prenyl-4'-methoxyisoflavone-7-O-beta-(2''-O-4-coumaroyl)glucopyranoside
RN: 126654-66-8
InChIKey: ZJTGUFCATXASHE-XLTJWZCXSA-N

Note

  • Phytoestrogen isolated from herb Sopubia delphinfolia; has estrogenic activity.

Molecular Formula

  • C36-H36-O11

Molecular Weight

  • 644.6694
 
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Names and Synonyms

Name of Substance

  • 3'-Prenyl-4'-methoxyisoflavone-7-O-beta-(2''-O-4-coumaroyl)glucopyranoside

Synonym

  • PMICG

Systematic Name

  • 2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2'-ester with 7-(beta-D-glucopyranosyloxy)-3-(4-methoxy-3-(3-methyl-2-butenyl)phenyl)-4H-1-benzopyran-4-one

Registry Numbers

CAS Registry Number

  • 126654-66-8

System Generated Number

  • 0126654668

Structure Descriptors

InChI

1S/C36H36O11/c1-20(2)4-8-23-16-22(9-14-28(23)43-3)27-19-44-29-17-25(12-13-26(29)32(27)40)45-36-35(34(42)33(41)30(18-37)46-36)47-31(39)15-7-21-5-10-24(38)11-6-21/h4-7,9-17,19,30,33-38,41-42H,8,18H2,1-3H3/b15-7+/t30-,33-,34+,35-,36-/m1/s1

InChIKey

ZJTGUFCATXASHE-XLTJWZCXSA-N

Smiles

CC(=CCc1cc(ccc1OC)c2coc3cc(ccc3c2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)OC(=O)/C=C/c5ccc(cc5)O)C