6,11-Dihydro-3,8,10,12-tetrahydroxy-1-methyl-11-oxo-2-naphthacenecarboxylic acid
Basic information
- CAS
149791-45-7- Standard SMILES
Cc1c(C(=O)O)c(O)cc2cc3c(c(O)c12)C(=O)c1c(O)cc(O)cc1C3- InChIKey
BJSNGVYBQJIGRT-UHFFFAOYSA-N- Molecular formula
- C20H14O7
- Average molar mass
- 366.3 g/mol
- Monoisotopic mass
- 366.07395278
Overview
Tetracenomycin F1 is a tetracenomycin that is 1-methyl-11-oxo-6,11-dihydrotetracene-2-carboxylic acid bearing four hydroxy substituents at positions 3, 8, 10 and 12. It is a member of phenols, a hydroxy monocarboxylic acid and a tetracenomycin. It is a conjugate acid of a tetracenomycin F1(1-).
Names & identifiers
- Preferred name
- 6,11-Dihydro-3,8,10,12-tetrahydroxy-1-methyl-11-oxo-2-naphthacenecarboxylic acid
- IUPAC
- 3,8,10,12-tetrahydroxy-1-methyl-11-oxo-6H-tetracene-2-carboxylic acid
- English name
- tetracenomycin F1
- Molecular formula
- C20H14O7
- Molecular weight
- 366.32
Names & synonyms
Tetracenomycin F1Tcm F1149791-45-73,8,10,12-tetrahydroxy-1-methyl-11-oxo-6,11-dihydrotetracene-2-carboxylic acidCHEBI:32205DTXSID901643823,8,10,12-tetrahydroxy-1-methyl-11-oxo-6H-tetracene-2-carboxylic acid2-Naphthacenecarboxylic acid, 6,11-dihydro-3,8,10,12-tetrahydroxy-1-methyl-11-oxo-RefChem:913641DTXCID70868736,11-Dihydro-3,8,10,12-tetrahydroxy-1-methyl-11-oxo-2-naphthacenecarboxylic acidTheasaponin F1
Show more names
Tetracenomycin-F1SCHEMBL5142828Q27114823
Database identifiers
- CAS
149791-45-7- PubChem CID
- 127693
- DTXSID
DTXSID90164382- ChEBI
CHEBI:32205- Nikkaji
- J751.185J
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 621
Chemistry & industry
Additional notes
DefinitionChEBI: A tetracenomycin that is 1-methyl-11-oxo-6,11-dihydrotetracene-2-carboxylic acid bearing four hydroxy substituents at positions 3, 8, 10 and 12.
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