Compound ID | 2208

Update compound information

Wychimicin

Class: Natural product antibiotic

Spectrum of activity: Gram-positive
Details of activity: Active against Staphylococcus aureus, Bacillus cereus, Corynebacterium bovis, Enterococcus faecalis, and Enterococcus faecium
Description: Natural product from Actinocrispum wychmicini MI503-A4; spirotetronate scaffold
Year first mentioned: 2022
Development status: Experimental
Chemical structure(s):
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Molecular weight: 850.43
Iso. SMILES: CCC1=C[C@H]2[C@@H]([C@H](C[C@@H]([C@@H]2O)O)C)[C@]/3(C1/C=C/C[C@H](/C(=C/[C@@H]4C=C[C@H](C[C@]45C(=O)/C(=C3/O)/C(=O)O5)C)/C)O[C@H]6C[C@@H]([C@@H]([C@H](O6)C)NC(=O)C7=C(C(=CC(=C7C)Cl)C)O)O)C
InChI Key: HHJJMAYDQLUZRZ-YNCOMUOBSA-N
Can. SMILES: CCC1=C[C@H]2[C@@H]([C@@H](C)C[C@@H]([C@@H]2O)O)[C@@]/3(C)C1/C=C/C[C@H](/C(=C/[C@@H]4C=C[C@@H](C)C[C@]45C(=O)/C(=C3/O)/C(=O)O5)/C)O[C@H]6C[C@@H]([C@@H]([C@@H](C)O6)NC(=O)C7=C(C)C(=CC(=C7O)C)Cl)O
InChI: InChI=1S/C47H60ClNO11/c1-9-27-18-29-38(23(4)17-33(51)41(29)53)46(8)30(27)11-10-12-34(22(3)15-28-14-13-21(2)20-47(28)43(55)37(42(46)54)45(57)60-47)59-35-19-32(50)39(26(7)58-35)49-44(56)36-25(6)31(48)16-24(5)40(36)52/h10-11,13-16,18,21,23,26,28-30,32-35,38-39,41,50-54H,9,12,17,19-20H2,1-8H3,(H,49,56)/b11-10+,22-15+,42-37-/t21-,23+,26-,28+,29+,30?,32+,33+,34-,35+,38-,39-,41-,46-,47-/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/165412942
Citation: https://www.nature.com/articles/s41429-022-00560-4#Sec2

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