Corallopyronin A   Click here for help

GtoPdb Ligand ID: 11029

Synonyms: CorA | LS-54950 | LS54950
Comment: Corallopyronin A is a polyketide-peptide antibiotic produced by myxobacterium Corallococcus coralloides B035 [1-2,5]. It has potent anti-filarial activity [3-4].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 16
Topological polar surface area 126.07
Molecular weight 527.29
XLogP 5.42
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES C/C=C/C/C=C(/C(CC/C(=C/C=C(/C(=O)c1c(O)cc(oc1=O)C(CC/C=C/NC(=O)OC)C)\C)/C)O)\C
Isomeric SMILES C/C=C/C/C=C(/C(CC/C(=C/C=C(/C(=O)c1c(O)cc(oc1=O)C(CC/C=C/NC(=O)OC)C)\C)/C)O)\C
InChI InChI=1S/C30H41NO7/c1-7-8-9-12-21(3)24(32)17-15-20(2)14-16-23(5)28(34)27-25(33)19-26(38-29(27)35)22(4)13-10-11-18-31-30(36)37-6/h7-8,11-12,14,16,18-19,22,24,32-33H,9-10,13,15,17H2,1-6H3,(H,31,36)/b8-7+,18-11+,20-14+,21-12+,23-16+
InChI Key FPBHSTHTCPCNBS-QXMYDWGFSA-N
Bioactivity Comments
The MIC for antibacterial activity against Staphylococcus simulans 22 is 1 μg/ml in vitro [6].