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Chemical structure of Phellamurin

GC72001

Phellamurin

Also known as (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

Phellamurin is a plant flavonone glycoside from the leaves of Phellodendron amurense and inhibits intestinal P-glycoprotein

ChemicalCAS52589-11-4MW518.51FormulaC26H30O11
CAS number
52589-11-4
Molecular weight
518.51
Formula
C26H30O11
InChIKey
GRDZTDZJQRPNCN-YIANMRPHSA-N
Catalogue number
GC72001
Brand
GLPBIO
Computed properties PubChem CID 193876 · XLogP 2 · TPSA 186 Ų · H-bond donors 7
XLogP
2
TPSA
186 Ų
H-bond donors
7
H-bond acceptors
11
Rotatable bonds
6
Heavy atoms
37

SMILES CC(=CCC1=C(C=C(C2=C1O[C@@H]([C@H](C2=O)O)C3=CC=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C

Computed descriptors from PubChem (CID 193876), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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