Basic information
- CAS
71135-22-3- Standard SMILES
COC(=O)c1c(OC)cc2cc3c(c(O)c2c1C)C(=O)[C@]1(O)C(=O)C=C(OC)[C@@H](O)[C@]1(O)C3=O- InChIKey
ULHJWHCSSAEMLW-UEVCKROQSA-N- Molecular formula
- C23H20O11
- Average molar mass
- 472.4 g/mol
- Monoisotopic mass
- 472.10056145
Overview
Tetracenomycin C is a tertiary alpha-hydroxy ketone, a methyl ester and a tetracenomycin.
Names & identifiers
- Preferred name
- Methyl (6aR,7S,10aR)-6,6a,7,10,10a,11-hexahydro-6a,7,10a,12-tetrahydroxy-3,8-dimethoxy-1-methyl-6,10,11-trioxo-2-naphthacenecarboxylate
- IUPAC
- methyl (6aR,7S,10aR)-6a,7,10a,12-tetrahydroxy-3,8-dimethoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate
- English name
- tetracenomycin C
- Molecular formula
- C23H20O11
- Molecular weight
- 472.3983
Names & synonyms
Tetracenomycin C71135-22-3CHEBI:9470DTXSID001037032methyl (6aR,7S,10aR)-6a,7,10a,12-tetrahydroxy-3,8-dimethoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydrotetracene-2-carboxylatemethyl (6aR,7S,10aR)-6a,7,10a,12-tetrahydroxy-3,8-dimethoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate2-Naphthacenecarboxylic acid, 6,6a,7,10,10a,11-hexahydro-6a,10a,12,?-tetrahydroxy-3,?-dimethoxy-1-methyl-6,11,?-trioxo-, methyl esterRefChem:925620DTXCID501521121Methyl (6aR,7S,10aR)-6,6a,7,10,10a,11-hexahydro-6a,7,10a,12-tetrahydroxy-3,8-dimethoxy-1-methyl-6,10,11-trioxo-2-naphthacenecarboxylateNSC309451NSC 309451
Show more names
8-demethyltetracenomycin C
SCHEMBL29884908C06801Q271084032-Naphthacenecarboxylic acid, 6,6a,7,10,10a,11-hexahydro-6a,7,10a,12-tetrahydroxy-3,8-dimethoxy-1-methyl-6,10,11-trioxo-, methyl ester,(6aR,7S,10aR)-
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 959
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
Additional notes
DefinitionChEBI: A member of the class of tetracenes that is tetracenomycin C in which the methoxy group at position 3 is replaced by a phenolic OH.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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