Chicanine
Basic information
- CAS
627875-49-4- Standard SMILES
COc1cc([C@H]2O[C@H](c3ccc4c(c3)OCO4)[C@@H](C)[C@H]2C)ccc1O- InChIKey
JPDORDSJPIKURD-JJWOIWCPSA-N- Molecular formula
- C20H22O5
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.1467238
Overview
Chicanine has been reported in Leucas aspera and Piper kadsura with data available.
Names & identifiers
- Preferred name
- Chicanine
- IUPAC
- 4-[(2S,3R,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
Names & synonyms
chicanineRefChem:918406(-)-Chicanine(-)-ChicaninChicanine, (-)-3SV7G2M8V4CHEMBL3290511(2S,3R,4S,5S)-(-)-ChicanineAKOS037515081FS-7164627875-49-44-[(2S,3R,4S,5S)-5-(1,3-Benzodioxol-5-yl)tetrahydro-3,4-dimethyl-2-furanyl]-2-methoxyphenol
Show more names
Phenol, 4-[(2S,3R,4S,5S)-5-(1,3-benzodioxol-5-yl)tetrahydro-3,4-dimethyl-2-furanyl]-2-methoxy-
Database identifiers
- CAS
627875-49-4- PubChem CID
- 53360432
- ChEMBL
CHEMBL3290511- UNII
- 3SV7G2M8V4
- Nikkaji
- J2.026.268K
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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