Compound ID | 3576

Update compound information

Ligustroflavone

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: 724.66
Iso. SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)O)O)O)O)O
InChI Key: NULBHTHMVOCGOE-ZBCCAYPVSA-N
Can. SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@H](OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](OC3=CC4=C(C(=C3)O)C(=O)C=C(C5=CC=C(C=C5)O)O4)O2)O[C@H]6[C@@H]([C@@H]([C@H]([C@H](C)O6)O)O)O)O)O)O1)O)O)O
InChI: InChI=1S/C33H40O18/c1-11-22(37)25(40)28(43)31(46-11)45-10-20-24(39)27(42)30(51-32-29(44)26(41)23(38)12(2)47-32)33(50-20)48-15-7-16(35)21-17(36)9-18(49-19(21)8-15)13-3-5-14(34)6-4-13/h3-9,11-12,20,22-35,37-44H,10H2,1-2H3/t11-,12-,20+,22-,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33+/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/10417462
Citation: https://journals.asm.org/doi/10.1128/spectrum.03258-24

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