Lycophlegmine
Basic information
- CAS
82841-97-2- Standard SMILES
C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4C[C@@H](O)C=C2[C@]34C1- InChIKey
SRCDVLQWMPMBLH-OHHDELOUSA-N- Molecular formula
- C16H23NO2
- Average molar mass
- 261.36 g/mol
- Monoisotopic mass
- 261.17287898
Overview
(1S,4S,10S,13S,15R)-4-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-one has been reported in Phlegmariurus phlegmaria with data available.
Names & identifiers
- Preferred name
- Lycophlegmine
- IUPAC
- (1S,4S,10S,13S,15R)-4-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-en-11-one
Names & synonyms
Lycophlegmine82841-97-21,9-Ethanobenzo(i)quinolizin-14-one, 1,2,3,4,6,7,9,10,11,12-decahydro-7-hydroxy-11-methyl-, (1S,7S,9S,11R,12aS)-(1S,4S,10S,13S,15R)-4-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-en-11-oneDTXSID60232022(1S,4S,10S,13S,15R)-4-hydroxy-15-methyl-6-azatetracyclo(8.6.0.01,6.02,13)hexadec-2-en-11-oneRefChem:154625DTXCID60154513orb1696252AKOS040752802T33027
Database identifiers
- CAS
82841-97-2- PubChem CID
- 5488730
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 458
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Related reactions
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Compound notes
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