Heterophylliin E

CAS Registry Number®

135309-00-1

CAS Name

Heterophylliin E

Molecular Formula

C40H28O25

Molecular Mass

908.64

Cite this Page

Heterophylliin E.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=135309-00-1 (retrieved 2024-11-22) (CAS RN: 135309-00-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H28O25/c41-13-1-8(2-14(42)24(13)47)35(55)65-40-31(54)34(64-39(59)12-6-18(46)32-23(12)22-11(37(57)62-32)5-17(45)27(50)30(22)53)33-19(61-40)7-60-36(56)9-3-15(43)25(48)28(51)20(9)21-10(38(58)63-33)4-16(44)26(49)29(21)52/h1-5,12,19,31,33-34,40-45,47-54H,6-7H2

InChIKey

InChIKey=AQPVGKAQOQGNBT-UHFFFAOYSA-N

SMILES

C(OC1C2C(OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C1O)COC(=O)C=4C(C=5C(C(=O)O2)=CC(O)=C(O)C5O)=C(O)C(O)=C(O)C4)(=O)C6C=7C=8C(C(=O)OC7C(=O)C6)=CC(O)=C(O)C8O

Canonical SMILES

O=C1OC=2C(=O)CC(C(=O)OC3C(O)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)OC5COC(=O)C=6C=C(O)C(O)=C(O)C6C7=C(O)C(O)=C(O)C=C7C(=O)OC53)C2C=8C(O)=C(O)C(O)=CC18

Other Names for this Substance

  • β-D-Glucopyranose, cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 3-(1,2,3,5-tetrahydro-7,8,9-trihydroxy-3,5-dioxocyclopenta[c][2]benzopyran-1-carboxylate) 1-(3,4,5-trihydroxybenzoate)
  • Dibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin, β-D-glucopyranose deriv.
  • Cyclopenta[c][2]benzopyran, β-D-glucopyranose deriv.
  • Heterophylliin E

CAS INSIGHTSTM
Targeted protein degrader structure, illustration