Compound ID | 3572

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Macrosporusone A

Class: Antivirulence agent

Details of activity: Active against Mycobacterium tuberculosis
Description: Natural product identified from virtual screening compound libraries for CdnP inhibitor; coumarin derivative; shows no intrinsic antibacterial activity
Year first mentioned: 2025
Development status: Experimental
Chemical structure(s):
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Molecular weight: 418.4
Iso. SMILES: CC1=CC(=CC2=CC(=C3C(=C12)[C@@H]4[C@@H]([C@]35COC(=O)C6=C(C=C(C(=C56)C4=O)C)O)O)O)O
InChI Key: IUUGHXAOEGNPDE-JKFKMHIGSA-N
Can. SMILES: CC1=CC(=CC2=CC(=C3C(=C12)[C@H]4C(=O)C5=C(C)C=C(C6=C5[C@]3(COC6=O)[C@H]4O)O)O)O
InChI: InChI=1S/C24H18O7/c1-8-3-11(25)5-10-6-13(27)19-17(14(8)10)18-21(28)15-9(2)4-12(26)16-20(15)24(19,22(18)29)7-31-23(16)30/h3-6,18,22,25-27,29H,7H2,1-2H3/t18-,22-,24+/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/146683382
Citation: https://journals.asm.org/doi/10.1128/spectrum.03258-24

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