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Chemical structure of Spinacetin

GC74243

Spinacetin

Also known as 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one

Spinacetin is a natural product that can be isolated from Inula japonica

ChemicalCAS3153-83-1MW346.29FormulaC17H14O8
CAS number
3153-83-1
Molecular weight
346.29
Formula
C17H14O8
InChIKey
XWIDINOKCRFVHQ-UHFFFAOYSA-N
Catalogue number
GC74243
Brand
GLPBIO
Computed properties PubChem CID 5321435 · XLogP 2.5 · TPSA 126 Ų · H-bond donors 4
XLogP
2.5
TPSA
126 Ų
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
25

SMILES COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)O)O

Computed descriptors from PubChem (CID 5321435), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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