Compound ID | 3509

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Demethoxycurcumin, Amb2698241

Class: Small molecule antibacterial agent

Spectrum of activity: Gram-negative
Details of activity: Active against Acinetobacter baumannii at 64 mg/L; reduces Acinetobacter baumannii adherence to host cells; inhibits outer membrane protein W (OmpW)
Description: Natural product (part of a compound library); hit from quantitative structure–activity relationship (QSAR) in silico screening of compounds targeting Acinetobacter baumannii outer membrane protein W (OmpW)
Year first mentioned: 2024
Development status: Experimental
Chemical structure(s):
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Molecular weight: 338.35
Iso. SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)O)O
InChI Key: HJTVQHVGMGKONQ-LUZURFALSA-N
Can. SMILES: COC1=CC(=CC=C1O)/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)O
InChI: InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3/b9-4+,10-5+
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/5469424
Citation: https://journals.asm.org/doi/10.1128/msystems.00325-24

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