2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[O-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl]oxy]-1-benzopyrylium

CAS Registry Number®

142506-21-6

CAS Name

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[O-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl]oxy]-1-benzopyrylium

Molecular Formula

C41H45O22

Cite this Page

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[O-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl]oxy]-1-benzopyrylium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=142506-21-6 (retrieved 2024-11-22) (CAS RN: 142506-21-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C41H44O22/c42-18-5-1-16(2-6-18)3-8-29(48)56-14-27-31(50)33(52)36(55)39(61-27)58-15-28-32(51)34(53)38(63-40-35(54)30(49)24(47)13-57-40)41(62-28)60-26-12-20-22(45)10-19(43)11-25(20)59-37(26)17-4-7-21(44)23(46)9-17/h1-12,24,27-28,30-36,38-41,47,49-55H,13-15H2,(H4-,42,43,44,45,46,48)/p+1/t24-,27-,28-,30+,31-,32+,33+,34+,35-,36-,38-,39-,40+,41-/m1/s1

InChIKey

InChIKey=AVYXHYMPVRRQIG-AHMSEWCKSA-O

SMILES

O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(O)=C(O)C=C3)[C@H]4[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)CO5)[C@@H](O)[C@@H](O)[C@@H](CO[C@@H]6O[C@H](COC(/C=C/C7=CC=C(O)C=C7)=O)[C@@H](O)[C@H](O)[C@H]6O)O4

Canonical SMILES

O=C(OCC1OC(OCC2OC(OC3=CC=4C(O)=CC(O)=CC4[O+]=C3C=5C=CC(O)=C(O)C5)C(OC6OCC(O)C(O)C6O)C(O)C2O)C(O)C(O)C1O)C=CC7=CC=C(O)C=C7

Other Names for this Substance

  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[O-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl]oxy]-
  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[O-6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl]oxy]-, (E)-
  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[O-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl]oxy]-
  • 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[O-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl]oxy]-1-benzopyrylium

CAS INSIGHTSTM
Targeted protein degrader structure, illustration