Apiorutin

CAS Registry Number®

63947-67-1

CAS Name

Apiorutin

Molecular Formula

C32H38O20

Molecular Mass

742.63

Cite this Page

Apiorutin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=63947-67-1 (retrieved 2024-11-22) (CAS RN: 63947-67-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H38O20/c1-10-19(38)22(41)24(43)29(48-10)46-7-17-20(39)23(42)27(52-31-28(44)32(45,8-33)9-47-31)30(50-17)51-26-21(40)18-15(37)5-12(34)6-16(18)49-25(26)11-2-3-13(35)14(36)4-11/h2-6,10,17,19-20,22-24,27-31,33-39,41-45H,7-9H2,1H3/t10-,17+,19-,20+,22+,23-,24+,27+,28-,29+,30-,31-,32+/m0/s1

InChIKey

InChIKey=UPVDFUGORYNXMW-VCKCKQTPSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC(O)=C(O)C=C3)[C@H]4[C@H](O[C@H]5[C@H](O)[C@](CO)(O)CO5)[C@@H](O)[C@H](O)[C@@H](CO[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)O4

Canonical SMILES

O=C1C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2OC4OCC(O)(CO)C4O)=C(OC=5C=C(O)C=C(O)C15)C=6C=CC(O)=C(O)C6

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[(O-D-apio-β-D-furanosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→6)]-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
  • 3-[(O-D-Apio-β-D-furanosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→6)]-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
  • CTN 986
  • Apiorutin
  • Quercetin-3-O-(2′′-O-β-apiofuranosyl-6′′-O-α-rhamnopyranosyl-β-glucopyranoside

CAS INSIGHTSTM
Targeted protein degrader structure, illustration