Cannabisativine
Basic information
- CAS
57682-64-1- Standard SMILES
CCCCC[C@H](O)[C@H](O)[C@H]1C=CC[C@@H]2CC(=O)NCCCCNCCCN21- InChIKey
KZZKPJBKEJKNAK-WERVVEIQSA-N- Molecular formula
- C21H39N3O3
- Average molar mass
- 381.6 g/mol
- Monoisotopic mass
- 381.29914211
Overview
Cannabisativine has been reported in Cannabis sativa with data available.
Names & identifiers
- Preferred name
- Cannabisativine
- IUPAC
- (13R,17R)-17-[(1R,2S)-1,2-dihydroxyheptyl]-1,5,10-triazabicyclo[11.4.0]heptadec-15-en-11-one
Names & synonyms
CannabisativineDTXSID20973282RefChem:917972DTXCID101477180(13S,17S)-17-((1S,2R)-1,2-dihydroxyheptyl)-1,5,10-triazabicyclo(11.4.0)heptadec-15-en-11-one57682-64-11,2-Dihydro-8-methoxy-2-oxo-5-quinolinecarboxaldehyde(13r,16ar)-13-[(1r,2s)-1,2-dihydroxyheptyl]-1,4,5,6,7,8,9,10,11,13,16,16a-dodecahydropyrido[2,1-d][1,5,9]triazacyclotridecin-2(3h)-one(13R,17R)-17-[(1R,2S)-1,2-dihydroxyheptyl]-1,5,10-triazabicyclo[11.4.0]heptadec-15-en-11-oneCannabisativine DISCONTINUEDNSC 295675Pyrido(2,1-d)(1,5,9)triazacyclotridecin-2(3H)-one, 13-(1,2-dihydroxyheptyl)-1,4,5,6,7,8,9,10,11,13,16,16a-dodecahydro-, (13R*(1R*,2S*),16aR*)-(+)-
Database identifiers
- CAS
57682-64-1- PubChem CID
- 100419
- DTXSID
DTXSID20973282- Nikkaji
- J238.645C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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