Cyano-napa
Basic information
- CAS
82423-05-0- Standard SMILES
COC1=C(C)C(=O)C2=C(C1=O)C(CO)N1C(C#N)C3CC4C(C1C2N1CCOC41)N3C- InChIKey
KDWXMIJUXUSUMZ-UHFFFAOYSA-N- Molecular formula
- C22H26N4O5
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.19031994
Overview
Cyanocycline A has been reported in Streptomyces flavovirens and Streptomyces flavogriseus with data available.
Names & identifiers
- Preferred name
- Cyano-napa
- IUPAC
- 16-(hydroxymethyl)-13-methoxy-12,20-dimethyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),12-diene-21-carbonitrile
Names & synonyms
82423-05-0NSC349644MLS002702885CYANO-NAPANSC 349644NSC348121(+)-Cyanocycline ANeuro_0001829-(hydroxymethyl)-11-methoxy-5,12-dimethyl-10,13-dioxo-1,2,3a,4,4a,6,7,9,10,13,13b,13c-dodecahydro-5h-4,6-methanobenzo[h][1,3]oxazolo[3,2-a]pyrazino[3,2,1-de][1,5]naphthyridine-7-carbonitrileCYANOCYCLINE A (CHUGAI)CHEMBL1727019SCHEMBL30325605
Show more names
DTXSID601002675NSC-348121NSC-349644NCI60_003116PD011628SMR0015667034,2-a]pyrazino-[3,2,1-de][1,5]naphthyridine-7-carbonitrile, 1,2,3a,4,4a,6,7,9,10,13,13b,13c-dodecahydro-9-(hydroxymethyl)-11-methoxy-5,12-dimethyl-10,13-dioxo-4,2-a]pyrazino[3,2,1-de][1,5]naphthyridine-7-carbonitrile, 1,2,3a,4,4a,6,7,9,10,13,13b,13c-dodecahydro-9-(hydroxymethyl)-11-methoxy-5,12-dimethyl-10,13-dioxo-
Database identifiers
- CAS
82423-05-0- PubChem CID
- 100158
- DTXSID
DTXSID601002675- ChEMBL
CHEMBL1727019
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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