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Chemical structure of 7,3',4'-Trihydroxy-3-benzyl-2H-chromene

GC76327

7,3',4'-Trihydroxy-3-benzyl-2H-chromene

Also known as 4-[(7-hydroxy-2H-chromen-3-yl)methyl]benzene-1,2-diol

7,3',4'-Trihydroxy-3-benzyl-2H-chromene is an reversible noncompetitive neuraminidase (NA) inhibitor

ChemicalCAS1111897-60-9MW270.28FormulaC16H14O4
CAS number
1111897-60-9
Molecular weight
270.28
Formula
C16H14O4
Solubility
DMSO： 100 mg/mL (369·99 mM; Need ultrasonic)
InChIKey
HPLBTDJMPUFEPF-UHFFFAOYSA-N
Catalogue number
GC76327
Brand
GLPBIO
Computed properties PubChem CID 71307370 · XLogP 2.7 · TPSA 69.9 Ų · H-bond donors 3
XLogP
2.7
TPSA
69.9 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
20

SMILES C1C(=CC2=C(O1)C=C(C=C2)O)CC3=CC(=C(C=C3)O)O

Computed descriptors from PubChem (CID 71307370), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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