Basic information
- CAS
140367-82-4- Standard SMILES
COc1cc(C)cc2ccc(-c3ccc4c(c3O)[C@@H](C)N[C@H](C)C4)c(O)c12- InChIKey
UOMMAZXPQFOUSU-ZIAGYGMSSA-N- Molecular formula
- C23H25NO3
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.18344366
Overview
Dioncophylline B is a member of isoquinolines and a member of naphthalenes. It has a role as a metabolite.
Names & identifiers
- Preferred name
- Dioncophylline B
- IUPAC
- (1R,3R)-7-(1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
Names & synonyms
Dioncophylline B140367-82-4(1R,3R)-7-(1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-olRefChem:134519Dioncophyllin b(-)-Dioncophylline BCHEMBL3827456SCHEMBL30389068CHEBI:66273DTXSID60930773Q271348147-(1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
Show more names
8-Isoquinolinol, 1,2,3,4-tetrahydro-7-(1-hydroxy-8-methoxy-6-methyl-2-naphthalenyl)-1,3-dimethyl-, stereoisomer
Database identifiers
- CAS
140367-82-4- PubChem CID
- 178558
- DTXSID
DTXSID60930773- ChEMBL
CHEMBL3827456- ChEBI
CHEBI:66273- Nikkaji
- J503.468J
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 514
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical diffusion
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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