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Chemical structure of Emodinanthrone

GC69060

Emodinanthrone

Also known as 1,3,8-trihydroxy-6-methyl-10H-anthracen-9-one

Emodinanthrone is an anthraquinone compound and a precursor to emodin, with antibiotic activity· Emodinanthrone inhibits respiration-driven solute transport in Escherichia coli membrane vesicles at micromolar concentrations

ChemicalCAS491-60-1MW256.25FormulaC15H12O4
CAS number
491-60-1
Molecular weight
256.25
Formula
C15H12O4
Solubility
DMSO : 16·67 mg/mL (65·05 mM; ultrasonic and warming and heat to 80°C)
InChIKey
LAJSXCAVRQXZIO-UHFFFAOYSA-N
Catalogue number
GC69060
Brand
GLPBIO
Computed properties PubChem CID 122635 · XLogP 3.2 · TPSA 77.8 Ų · H-bond donors 3
XLogP
3.2
TPSA
77.8 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
19

SMILES CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2)C=C(C=C3O)O

Computed descriptors from PubChem (CID 122635), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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