2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one

CAS Registry Number®

151649-66-0

CAS Name

2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one

Molecular Formula

C43H48O25

Molecular Mass

964.83

Cite this Page

2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=151649-66-0 (retrieved 2024-11-22) (CAS RN: 151649-66-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C43H48O25/c1-60-22-8-15(2-5-19(22)48)3-7-27(51)66-39-34(57)30(53)25(13-45)64-42(39)68-40-35(58)31(54)26(14-46)65-43(40)67-38-32(55)28-21(50)10-17(61-41-36(59)33(56)29(52)24(12-44)63-41)11-23(28)62-37(38)16-4-6-18(47)20(49)9-16/h2-11,24-26,29-31,33-36,39-50,52-54,56-59H,12-14H2,1H3/b7-3+/t24-,25-,26-,29-,30-,31-,33+,34+,35+,36-,39-,40-,41-,42+,43+/m1/s1

InChIKey

InChIKey=CBQWFAOISQNPIK-KJMRRCPRSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2)C4=CC(O)=C(O)C=C4)[C@H]5[C@H](O[C@H]6[C@H](OC(/C=C/C7=CC(OC)=C(O)C=C7)=O)[C@@H](O)[C@H](O)[C@@H](CO)O6)[C@@H](O)[C@H](O)[C@@H](CO)O5

Canonical SMILES

O=C(OC1C(O)C(O)C(OC1OC2C(O)C(O)C(OC2OC=3C(=O)C4=C(O)C=C(OC5OC(CO)C(O)C(O)C5O)C=C4OC3C=6C=CC(O)=C(O)C6)CO)CO)C=CC7=CC=C(O)C(OC)=C7

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-
  • 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 2′′-ester with 2-(3,4-dihydroxyphenyl)-3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, (E)-
  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-
  • 2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-3-[[2-O-[2-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-, (E)-

Deleted or Replaced CAS Registry Numbers

194235-07-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration