Compound ID | 2495

Update compound information

Daunorubicin

Synonym(s): Daunomycin

Class: Natural product antibiotic

Agent Type: Natural product; Small molecule;
Spectrum of activity: Gram-negative
Mechanism of action: Unknown
Target Pathogen: Active against bla-NDM-5, mcr-1 and tet(X4) expressing Escherichia coli
Description: Natural product from Streptomyces; FDA-approved drug with anti-tumour properties but resensitizes MDR E. coli to colistin and tigecycline; slight activity on its own but improved activity with colistin/tigecycline
Year first mentioned: 2023
Development status: Experimental
Chemical structure(s):
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Molecular weight: 527.52
Iso. SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O
InChI Key: STQGQHZAVUOBTE-VGBVRHCVSA-N
Can. SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=O)C5=C(C=CC=C5C4=O)OC)C(=C32)O)O)(C(=O)C)O)N)O
InChI: InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/30323
Citation: https://www.cell.com/iscience/fulltext/S2589-0042(23)00886-6

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