Adlumidiceine enol lactone
Basic information
- CAS
51059-67-7- Standard SMILES
CN(C)CCc1cc2c(cc1/C=C1/OC(=O)c3c1ccc1c3OCO1)OCO2- InChIKey
XTKRQNDALPUYMD-LZYBPNLTSA-N- Molecular formula
- C21H19NO6
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 381.12123733
Overview
Adlumidiceine enol lactone has been reported in Papaver rhoeas and Capnoides sempervirens with data available.
Names & identifiers
- Preferred name
- Adlumidiceine enol lactone
- IUPAC
- (6E)-6-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]furo[3,4-g][1,3]benzodioxol-8-one
- English name
- 6-[(E)-[6-[2-(Dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylene]furo[3,4-e]-1,3-benzodioxol-8(6H)-one
- Molecular formula
- C21H19NO6
- Molecular weight
- 381.38
Names & synonyms
Adlumidiceine enol lactone51059-67-7(E)-Adlumidiceine enol lactonetrans-Adlumidiceine enol lactone6-[(E)-[6-[2-(Dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylene]furo[3,4-e]-1,3-benzodioxol-8(6H)-oneFuro[3,4-e]-1,3-benzodioxol-8(6H)-one, 6-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylene]-, (6E)-
Database identifiers
- CAS
51059-67-7- PubChem CID
- 6442709
- Nikkaji
- J10.909F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 636
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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