3-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

CAS Registry Number®

78510-18-6

CAS Name

3-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

Molecular Formula

C36H36O17

Molecular Mass

740.66

Cite this Page

3-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-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=78510-18-6 (retrieved 2024-11-22) (CAS RN: 78510-18-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H36O17/c1-15-26(42)29(45)31(47)35(49-15)53-34-30(46)27(43)23(14-48-24(41)11-4-16-2-7-18(37)8-3-16)51-36(34)52-33-28(44)25-21(40)12-20(39)13-22(25)50-32(33)17-5-9-19(38)10-6-17/h2-13,15,23,26-27,29-31,34-40,42-43,45-47H,14H2,1H3/t15-,23+,26-,27+,29+,30-,31+,34+,35-,36-/m0/s1

InChIKey

InChIKey=KWMWJQVVNZCVAU-MOHPHDMSSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC=C(O)C=C3)[C@H]4[C@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](O)[C@@H](COC(C=CC6=CC=C(O)C=C6)=O)O4

Canonical SMILES

O=C(OCC1OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=CC4)C(OC5OC(C)C(O)C(O)C5O)C(O)C1O)C=CC6=CC=C(O)C=C6

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • 2-Propenoic acid, 3-(4-hydroxyphenyl)-, 6′-ester with 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • 4H-1-Benzopyran-4-one, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • 3-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

CAS INSIGHTSTM
Targeted protein degrader structure, illustration