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Substance Name: Apigenin-7-O-(6''-O-4-coumaroyl)-beta-glucopyranoside
RN: 105815-90-5
UNII: J64J7O64HY
InChIKey: WPQRDUGBKUNFJW-ZZSHFKPLSA-N

Note

  • From Chinese folk medicine Populus tomentosa Carr; used for treatment of arthritis.

Molecular Formula

  • C30-H26-O12

Molecular Weight

  • 578.5234
 
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Names and Synonyms

Name of Substance

  • Apigenin-7-O-(6''-O-4-coumaroyl)-beta-glucopyranoside

Synonyms

  • Acbglu
  • UNII-J64J7O64HY

Systematic Name

  • 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-7-((6-O-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-beta-D-glucopyranosyl)oxy)-, (E)-

Registry Numbers

CAS Registry Number

  • 105815-90-5

FDA UNII

  • J64J7O64HY

System Generated Number

  • 0105815905

Structure Descriptors

InChI

1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-13,24,27-33,36-38H,14H2/b10-3+/t24-,27-,28+,29-,30-/m1/s1

InChIKey

WPQRDUGBKUNFJW-ZZSHFKPLSA-N

Smiles

O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)cc2)O[C@@H](Oc3cc(O)c4C(=O)C=C(Oc4c3)c5ccc(O)cc5)[C@H](O)[C@H]1O