Cherylline
Basic information
- CAS
23367-61-5- Standard SMILES
COc1cc2c(cc1O)CN(C)C[C@H]2c1ccc(O)cc1- InChIKey
VXXVFIKKBBVGIR-HNNXBMFYSA-N- Molecular formula
- C17H19NO3
- Average molar mass
- 285.34 g/mol
- Monoisotopic mass
- 285.13649347
Overview
Cherylline is a member of isoquinolines.
Names & identifiers
- Preferred name
- Cherylline
- IUPAC
- (4S)-4-(4-hydroxyphenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
- English name
- cherylline
- Molecular formula
- C17H19NO3
- Molecular weight
- 285.34
Names & synonyms
Cherylline23367-61-5(4S)-4-(4-hydroxyphenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-olDTXSID40177922RefChem:125136DTXCID00100413(-)-CheryllineCheryllinC12167AC1L3J7RSCHEMBL27916467CHEBI:31391
Show more names
Crinine【C17 alkaloid】(-)-Crinine【C17 alkaloid】(4R)-1,2,3,4-Tetrahydro-4-(4-hydroxyphenyl)-6-methoxy-2-methyl-7-isoquinolinol7-Isoquinolinol, 1,2,3,4-tetrahydro-4-(4-hydroxyphenyl)-6-methoxy-2-methyl-, (4S)-[4S,(-)]-1,2,3,4-Tetrahydro-4-(4-hydroxyphenyl)-6-methoxy-2-methylisoquinolin-7-ol
(4S)-4-(4-hydroxyphenyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-olQ27114300
Database identifiers
- CAS
23367-61-5- PubChem CID
- 90075
- DTXSID
DTXSID40177922- ChEBI
CHEBI:31391- Nikkaji
- J16.304J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Melting point
- 214 · 214-215 °C
- Boiling point
- 462.017 · 462.017±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.228 · 1.228±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.965 · 9.965±0.30(predicted)
- CAS DataBase Reference
- 23367 · 23367-61-5
Chemistry & industry
Applications
UsesCherylline is a 4-arylisoquinoline derivative, a group with several potential medicinal properties, including a weak acetylcholinesterase inhibitory activity. Mesembrenone, in turn, is mildly active against Molt 4 lymphoid and non-tumoral fibroblastic LMTK cells, has a moderate hypotensive effect on arterial pressure, and interacts slightly with DNA.
Additional notes
DefinitionChEBI: Cherylline is a member of isoquinolines.
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