Basic information
- Standard SMILES
COc1cc2c(cc1OC)-c1c(C)c3ccc4c(c3c[n+]1CC2)OCO4.[Cl-]- InChIKey
YSJCIJQVDSPGTM-UHFFFAOYSA-M- Molecular formula
- C21H20ClNO4
- Average molar mass
- 385.8 g/mol
Overview
Dehydrocavidine has been reported in Fumaria indica, Berberis, and other organisms with data available.
Names & identifiers
- Preferred name
- Dehydrocavidine
- IUPAC
- 16,17-dimethoxy-12-methyl-5,7-dioxa-1-azoniapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaene chloride
Names & synonyms
RefChem:919773DehydrocavidineCHEMBL509600SCHEMBL29493323SCHEMBL29493324YSJCIJQVDSPGTM-UHFFFAOYSA-M
Database identifiers
- PubChem CID
- 44559283
- ChEMBL
CHEMBL509600
Properties
Computed structural properties
- Topological polar surface area
- 40.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 516
Related reactions
2 records
Compound notes
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