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Chemical structure of Ombuin

GC60276

Ombuin

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

Ombuin, isolated from Zanthoxylum armatum, displays broad spectrum antibacterial effect with MIC ranges from 125 to 500 μg/mL

ChemicalCAS529-40-8MW330.29FormulaC17H14O7
CAS number
529-40-8
Molecular weight
330.29
Formula
C17H14O7
Solubility
DMSO ： 100 mg/mL (302·76 mM; Need ultrasonic)
InChIKey
BWORNNDZQGOKBY-UHFFFAOYSA-N
Catalogue number
GC60276
Brand
GLPBIO
Computed properties PubChem CID 5320287 · XLogP 2.2 · TPSA 105 Ų · H-bond donors 3
XLogP
2.2
TPSA
105 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
24

SMILES COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O)O

Computed descriptors from PubChem (CID 5320287), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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