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Chemical structure of Methylophiopogonanone A

GN10454

Methylophiopogonanone A

Also known as (3R)-3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one

Methylophiopogonanone A (MOA), an abundantly bioactive homoisoflavonoid isolated from the herbal medicine Ophiopogonis Radix, has been considered as the key chemical index for the quality control of Ophiopogonis Radix related herbal formulations

ChemicalCAS74805-92-8MW342.34FormulaC19H18O6
CAS number
74805-92-8
Molecular weight
342.34
Formula
C19H18O6
Solubility
≥ 86·7mg/mL in DMSO
InChIKey
BXTNNJIQILYHJB-GFCCVEGCSA-N
Catalogue number
GN10454
Brand
GLPBIO
Computed properties PubChem CID 53466984 · XLogP 3.8 · TPSA 85.2 Ų · H-bond donors 2
XLogP
3.8
TPSA
85.2 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
25

SMILES CC1=C(C(=C2C(=C1O)C(=O)[C@@H](CO2)CC3=CC4=C(C=C3)OCO4)C)O

Computed descriptors from PubChem (CID 53466984), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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