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Chemical structure of Flavanomarein

GC60844

Flavanomarein

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

Flavanomarein is a predominant flavonoid of Coreopsis tinctoria Nutt with protective effects against diabetic nephropathy

ChemicalCAS577-38-8MW450.39FormulaC21H22O11
CAS number
577-38-8
Molecular weight
450.39
Formula
C21H22O11
Solubility
DMSO ： 33·33 mg/mL (74·00 mM; ultrasonic and warming and heat to 60°C)
InChIKey
DGGOLFCPSUVVHX-RTHJTPBESA-N
Catalogue number
GC60844
Brand
GLPBIO
Computed properties PubChem CID 101781 · XLogP -0.3 · TPSA 186 Ų · H-bond donors 7
XLogP
-0.3
TPSA
186 Ų
H-bond donors
7
H-bond acceptors
11
Rotatable bonds
4
Heavy atoms
32

SMILES C1[C@H](OC2=C(C1=O)C=CC(=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)O)O

Computed descriptors from PubChem (CID 101781), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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