Zenkerine
Basic information
- CAS
65953-82-4- Standard SMILES
COc1ccc2c(c1)-c1c(O)c(OC)cc3c1[C@@H](C2)NCC3- InChIKey
RELZHBBKERFUAJ-CQSZACIVSA-N- Molecular formula
- C18H19NO3
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.13649347
Overview
Zenkerine has been reported in Monodora junodii and Isolona zenkeri with data available.
Names & identifiers
- Preferred name
- Zenkerine
- IUPAC
- (6aR)-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
- English name
- (R)-2,10-Dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-ol
- Molecular formula
- C18H19NO3
- Molecular weight
- 297.35
Names & synonyms
Zenkerine(6aR)-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol(6aR)-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-1-olRefChem:93450565953-82-4(-)-Zenkerine10-Methoxycaaverine(R)-(-)-ZenkerineDTXSID609844332,10-Dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol(R)-5,6,6a,7-Tetrahydro-2,10-dimethoxy-4H-dibenzo[de,g]quinolin-1-ol(R)-2,10-Dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-ol
Show more names
4H-Dibenzo[de,g]quinolin-1-ol, 5,6,6a,7-tetrahydro-2,10-dimethoxy-, (6aR)-
Database identifiers
- CAS
65953-82-4- PubChem CID
- 181761
- DTXSID
DTXSID60984433- Nikkaji
- J20.216I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 404
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Related reactions
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Compound notes
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