novobiocin
[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
Molecular Identity
novobiocin
[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
PubChem CID: 54675769
Novobiocin is a coumarin-derived antibiotic obtained from Streptomyces niveus. It has a role as an antimicrobial agent, an antibacterial agent, an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor, a hepatoprotective agent and an Escherichia coli metabolite. It is a carbamate ester, an ether, a monocarboxylic acid amide, a member of phenols, a hexoside, a hydroxycoumarin and a monosaccharide derivative. It is a conjugate acid of a novobiocin(1-).
2D Structure
Properties
C31H36N2O11
Molecular Formula
612.60
Molecular Weight
g/mol
612.2319
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
196
TPSA
May have limited oral absorption
5
H-Bond Donors
11
H-Bond Acceptors
1150
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
novobiocin303-81-1StreptonivicinCardelmycinInamycinSpheromycinNovobiocinaNovobiocineCrystallinic acidCathocinNovobiocinumPA 93Benzamide, N-(7-((3-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-beta-L-lyxo-hexopyranosyl)oxy)-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-butenyl)-17EC19951NDTXSID3041083
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to novobiocin
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