6,7-Dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-5-ol
Basic information
- CAS
78416-89-4- Standard SMILES
COc1ccc(CC2NCCc3c2cc(OC)c(OC)c3O)cc1- InChIKey
SQMUQBYKHDACDD-UHFFFAOYSA-N- Molecular formula
- C19H23NO4
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.16270821
Overview
Xi-Anomuricine is a member of isoquinolines.
Names & identifiers
- Preferred name
- 6,7-Dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-5-ol
- IUPAC
- 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-5-ol
Names & synonyms
xi-Anomuricine6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-5-ol78416-89-45-Isoquinolinol, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-((4-methoxyphenyl)methyl)-DTXSID30999756CHEBI:174437
Database identifiers
- CAS
78416-89-4- PubChem CID
- 157209
- DTXSID
DTXSID30999756- ChEBI
CHEBI:174437- Nikkaji
- J2.395.806F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 386
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…