Dehydrodiscretine
Basic information
- CAS
68947-61-5- Standard SMILES
COc1cc2c(cc1O)CC[n+]1cc3cc(OC)c(OC)cc3cc1-2- InChIKey
YKOWIGFWFQCIKO-UHFFFAOYSA-O- Molecular formula
- C20H20NO4+
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.13923312
Overview
2,10,11-trimethoxy-6,7-dihydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-3-one has been reported in Fibraurea chloroleuca, Dasymaschalon rostratum, and other organisms with data available.
Names & identifiers
- Preferred name
- Dehydrodiscretine
- IUPAC
- 2,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Names & synonyms
Dehydrodiscretine2,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol3-Hydroxy-2,10,11-trimethoxyberbinium chloride75491-93-92,10,11-trimethoxy-5,6-dihydroisoquinolino(2,1-b)isoquinolin-7-ium-3-olDibenzo(a,g)quinolizinium, 5,6-dihydro-3-hydroxy-2,10,11-trimethoxy-, chlorideRefChem:132806Dibenzo(a,g)quinolizinium, 5,6-dihydro-3-hydroxy-2,10,11-trimethoxy-68947-61-5CHEMBL220527SCHEMBL24212401DTXSID90219008
Show more names
3-Hydroxy-2,10,11-trimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium
Database identifiers
- CAS
68947-61-5- PubChem CID
- 155189
- DTXSID
DTXSID90219008- ChEMBL
CHEMBL220527
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 461
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Compound notes
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