aurodox
(2S)-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-6-methyl-7-oxohepta-1,3,5-trienyl]oxolan-2-yl]-6-methoxy-5-methylocta-2,4-dienyl]-2-[(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]oxan-2-yl]butanamide
Molecular Identity
aurodox
(2S)-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-6-methyl-7-oxohepta-1,3,5-trienyl]oxolan-2-yl]-6-methoxy-5-methylocta-2,4-dienyl]-2-[(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]oxan-2-yl]butanamide
PubChem CID: 135509117
2D Structure
Properties
C44H62N2O12
Molecular Formula
811.00
Molecular Weight
g/mol
810.4303
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
216
TPSA
May have limited oral absorption
7
H-Bond Donors
12
H-Bond Acceptors
1750
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
aurodoxGoldinomycin1-MethylmocimycinGoldinodox12704-90-4Mocimycin, 1-methyl-Antibiotic X-5108PGP5RZH64GX 5108X-5108DTXSID801043992NSC-233989(2S)-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-1-methyl-2-oxopyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trienyl]oxolan-2-yl]-6-methoxy-5-methylocta-2,4-dienyl]-2-[(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]oxan-2-yl]butanamideN MethylkirromycinN-Methylkirromycin
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to aurodox
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