10'-O-Demethylstreptonigrin
Basic information
- CAS
105933-56-0- Standard SMILES
COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(O)c(OC)c4O)c3N)ccc2C1=O- InChIKey
HXXIUDYBAVHRJV-UKTHLTGXSA-N- Molecular formula
- C24H20N4O8
- Average molar mass
- 492.4 g/mol
- Monoisotopic mass
- 492.12811361
Overview
10'-O-Demethylstreptonigrin has been reported in Streptomyces albus with data available.
Names & identifiers
- Preferred name
- 10'-O-Demethylstreptonigrin
- IUPAC
- 5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2,4-dihydroxy-3-methoxyphenyl)-3-methylpyridine-2-carboxylic acid
- English name
- 10'-O-demethylstreptonigrin
- Molecular formula
- C24H20N4O8
- Molecular weight
- 492.4376
Names & synonyms
10'-O-Demethylstreptonigrin10'-O-Desmethylstreptonigrin105933-56-0RefChem:773375-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2,4-dihydroxy-3-methoxyphenyl)-3-methylpyridine-2-carboxylic acidStreptonigrin, 10'-O-demethylNSC615260NSC-6152605-Amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2,4-dihydroxy-3-methoxyphenyl)-3-methyl-2-pyridinecarboxylic acid2-Pyridinecarboxylic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2,4-dihydroxy-3-methoxyphenyl)-3-methyl-
Database identifiers
- CAS
105933-56-0- PubChem CID
- 129156
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 928
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Compound notes
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