Basic information
- CAS
120796-24-9- Standard SMILES
Cc1cc(O)c2c3c(n(C#N)c2c1)C(=O)c1c(O)cccc1C3=O- InChIKey
ICZJRSZSGQYRIC-UHFFFAOYSA-N- Molecular formula
- C18H10N2O4
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.0640568
Overview
Pre-kinamycin has been reported in Streptomyces murayamaensis with data available.
Names & identifiers
- Preferred name
- 1,7-dihydroxy-3-methyl-6,11-dioxo-6,11-dihydro-5H-benzo[b]carbazole-5-carbonitrile
- IUPAC
- 1,7-dihydroxy-3-methyl-6,11-dioxobenzo[b]carbazole-5-carbonitrile
Names & synonyms
1,7-dihydroxy-3-methyl-6,11-dioxo-6,11-dihydro-5H-benzo[b]carbazole-5-carbonitrile5H-Benzo(b)carbazole-5-carbonitrile, 6,11-dihydro-1,7-dihydroxy-3-methyl-6,11-dioxo-6,11-dihydro-1,7-dihydroxy-3-methyl-6,11-dioxo-5h-benzo[b]carbazole-5-carbonitrile
Database identifiers
- CAS
120796-24-9- PubChem CID
- 129258
- DTXSID
DTXSID80153008- Nikkaji
- J907.657C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 626
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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