Caaverine
Basic information
- CAS
6899-64-5- Standard SMILES
COc1cc2c3c(c1O)-c1ccccc1C[C@H]3NCC2- InChIKey
DUSFBAYEYGRYOT-CYBMUJFWSA-N- Molecular formula
- C17H17NO2
- Average molar mass
- 267.32 g/mol
- Monoisotopic mass
- 267.12592879
Overview
(-)-Caaverine is an aporphine alkaloid.
Names & identifiers
- Preferred name
- Caaverine
- IUPAC
- (6aR)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
- English name
- (-)Caaverine
- Molecular formula
- C17H17NO2
- Molecular weight
- 267.32
Names & synonyms
(-)-CaaverineCaaverineNORAPORPHIN-1-OL, 2-METHOXY-6899-64-5DTXSID00219034(6aR)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol(6aR)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-1-olRefChem:1080601DTXCID201415252-Methoxynoraporphin-1-ol4H-Dibenzo(de,g)quinolin-1-ol, 5,6,6a,7-tetrahydro-2-methoxy-C09368
Show more names
(-)Caaverine(R)-5,6,6a,7-Tetrahydro-2-methoxy-4H-dibenzo[de,g]quinolin-1-ol4H-Dibenzo[de,g]quinolin-1-ol, 5,6,6a,7-tetrahydro-2-methoxy-, (6aR)-
CHEBI:84SCHEMBL30029891Q27105227
Database identifiers
- CAS
6899-64-5- PubChem CID
- 23335
- DTXSID
DTXSID00219034- ChEBI
CHEBI:84- Nikkaji
- J15.051G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Melting point
- 208 · 208-210 °C (decomp)
- Boiling point
- 472.5 · 472.5±45.0 °C(Predicted)
- Density
- 1.236 · 1.236±0.06 g/cm3(Predicted)
- pka
- 9.93 · 9.93±0.20(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: (-)-Caaverine is an aporphine alkaloid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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