301845-97-6
Chemical Structure
Simocyclinone D8
- CAS No.: 301845-97-6
- Formula:C46H42ClNO18
- Molecular Weight:932.27
IUPAC Name: (2R,3R,4R,6R)-3-acetoxy-2-methyl-6-((4aR,6S,6aS,7R,12aS,12bR)-4a,6,7,8,12b-pentahydroxy-3-methyl-1,12-dioxo-1,4,4a,5,6,7,12,12b-octahydro-6a,12a-epoxytetraphen-9-yl)tetrahydro-2H-pyran-4-yl (2E,4E,6E,8E)-10-((8-chloro-4,7-dihydroxy-2-oxo-2H-chromen-3-yl)a
InChIKey: PLEGMCYXNQPJNV-JIEXBSPMSA-N
SMILES: O[C@@]12[C@@]34[C@@]([C@@H](C5=C(O)C([C@H]6C[C@H]([C@H](OC(C)=O)[C@@H](C)O6)OC(/C=C/C=C/C=C/C=C/C(NC7=C(C8=CC=C(O)C(Cl)=C8OC7=O)O)=O)=O)=CC=C5C4=O)O)([C@@H](O)C[C@@]1(CC(C)=CC2=O)O)O3
Biological Activity: Simocyclinone D8 is an anthracycline antibiotic with antibacterial and antitumor activity against Gram-positive bacteria. Simocyclinone D8 inhibits DNA gyrase and thus has an inhibitory effect on a variety of tumor cell lines[1].
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Simocyclinone D8 | Simocyclinone D8 is an anthracycline antibiotic with antibacterial and antitumor activity against Gram-positive bacteria. Simocyclinone D8 inhibits DNA gyrase and thus has an inhibitory effect on a variety of tumor cell lines. | |||||||||||||||||||||
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