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Chemical structure of Ophiopogonone C

GC71957

Ophiopogonone C

Also known as 3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-6-methyl-4-oxochromene-8-carbaldehyde

Ophiopogonone C (compound 3) is an isoflavone compound isolated from the ethanol extract of Ophiopogon japonicus tubers

ChemicalCAS477336-77-9MW354.31FormulaC19H14O7
CAS number
477336-77-9
Molecular weight
354.31
Formula
C19H14O7
InChIKey
MNAZQDBGIVJQLS-UHFFFAOYSA-N
Catalogue number
GC71957
Brand
GLPBIO
Computed properties PubChem CID 11142766 · XLogP 3.5 · TPSA 102 Ų · H-bond donors 2
XLogP
3.5
TPSA
102 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
26

SMILES CC1=C(C(=C2C(=C1O)C(=O)C(=CO2)CC3=CC4=C(C=C3)OCO4)C=O)O

Computed descriptors from PubChem (CID 11142766), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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