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Chemical structure of SMND-309

GC37653

SMND-309

Also known as (E)-2-[6-[(E)-2-carboxyethenyl]-2,3-dihydroxyphenyl]-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

SMND-309 is a metabolite of salvianolic acid B, and exhibits neuroprotective effects in cultured neurons and in permanent middle cerebral artery occlusion rats

ChemicalCAS1065559-56-9MW358.3FormulaC18H14O8
CAS number
1065559-56-9
Molecular weight
358.3
Formula
C18H14O8
Solubility
DMSO： ≥ 3·7 mg/mL (10·33 mM)
InChIKey
OAHRXWZJURTMHG-ACIWFXKJSA-N
Catalogue number
GC37653
Brand
GLPBIO
Computed properties PubChem CID 45138954 · XLogP 2 · TPSA 156 Ų · H-bond donors 6
XLogP
2
TPSA
156 Ų
H-bond donors
6
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
26

SMILES C1=CC(=C(C=C1/C=C(\C2=C(C=CC(=C2O)O)/C=C/C(=O)O)/C(=O)O)O)O

Computed descriptors from PubChem (CID 45138954), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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