Basic information
- CAS
38691-92-8- Standard SMILES
COc1ccc2c(C)c3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2- InChIKey
SMERZMDSMLIVHC-UHFFFAOYSA-N- Molecular formula
- C21H20NO4+
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.13923312
Overview
Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-13-methyl- has been reported in Corydalis solida with data available.
Names & identifiers
- Preferred name
- 13-Methylberberine
- IUPAC
- 16,17-dimethoxy-21-methyl-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
Names & synonyms
13-MethylberberineBenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-13-methyl-DTXSID40191981Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-13-methyl-16,17-dimethoxy-21-methyl-5,7-dioxa-13-azoniapentacyclo(11.8.0.02,10.04,8.015,20)henicosa-1(13),2,4(8),9,14,16,18,20-octaene16,17-dimethoxy-21-methyl-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaeneRefChem:236517DTXCID8011447238691-92-85,6-Dihydro-2,3-(methylenedioxy)-9,10-dimethoxy-13-methyldibenzo[a,g]quinoliziniumDehydrothalictricavineDAS3GQ3TEY
Show more names
13-Methyl-thylberberineSCHEMBL299398CHEMBL1186429SCHEMBL31214707PD0577265,6-Dihydro-9,10-dimethoxy-13-methylbenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium9,10-Dimethoxy-13-methyl-5,6-dihydro-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium
Database identifiers
- CAS
38691-92-8- PubChem CID
- 148262
- DTXSID
DTXSID40191981- ChEMBL
CHEMBL1186429- UNII
- DAS3GQ3TEY
- Nikkaji
- J257.624D
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 40.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 1
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…