Alpinigenine
Basic information
- CAS
14028-91-2- Standard SMILES
COc1cc2c(cc1OC)[C@@H]1O[C@@H](O)c3c(ccc(OC)c3OC)[C@H]1N(C)CC2- InChIKey
CJYNYVSDQZLRSG-RZUBCFFCSA-N- Molecular formula
- C22H27NO6
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.18383758
Overview
Alpinigenine has been reported in Papaver macrostomum, Papaver nudicaule, and other organisms with data available.
Names & identifiers
- Preferred name
- Alpinigenine
- IUPAC
- (1S,11R,18R)-4,5,15,16-tetramethoxy-10-methyl-19-oxa-10-azatetracyclo[9.8.0.02,7.012,17]nonadeca-2,4,6,12(17),13,15-hexaen-18-ol
- English name
- Alpinigenin
- Molecular formula
- C22H27NO6
- Molecular weight
- 401.45288
Names & synonyms
Alpinigenine14028-91-2DTXSID40161301(1S,11R,18R)-4,5,15,16-Tetramethoxy-10-methyl-19-oxa-10-azatetracyclo[9.8.0.02,7.012,17]nonadeca-2,4,6,12(17),13,15-hexaen-18-ol(1S,11R,18R)-4,5,15,16-tetramethoxy-10-methyl-19-oxa-10-azatetracyclo(9.8.0.02,7.012,17)nonadeca-2,4,6,12(17),13,15-hexaen-18-olRefChem:111417DTXCID1083792Alpinigeninorb1698531Rheadan-8-ol, 2,3,10,11-tetramethoxy-16-methyl-, (6alpha,8alpha)-AKOS040750351NS00094695
Show more names
[2]Benzopyrano[3,4-a][3]benzazepin-6-ol, 4b,6,10b,11,12,13-hexahydro-2,3,7,8-tetramethoxy-11-methyl-, (4bS,6R,10bR)-
H62905T299032,3,10,11-Tetramethoxy-16-methyl-6alpha-rheadan-8alpha-ol
Database identifiers
- CAS
14028-91-2- PubChem CID
- 166983
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 549
Physicochemical properties
- Melting point
- 190 · 190-191 °C
- Boiling point
- 532.8 · 532.8±50.0 °C(Predicted)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- pka
- 11.84 · 11.84±0.20(Predicted)
Chemistry & industry
Applications
DescriptionAlpinigenine is a papaveraceous alkaloid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…