Cannabisativine
AlkaPlorer ID: AK033924
Synonym: '', 'Cannabisativine'
IUPAC Name: (13S,17S)-17-[(1S,2R)-1,2-dihydroxyheptyl]-1,5,10-triazabicyclo[11.4.0]heptadec-15-en-11-one
Structure
SMILES: CCCCC[C@@H](O)[C@@H](O)[C@@H]1C=CC[C@H]2CC(O)=NCCCCNCCCN21
InChI: InChI=1S/C21H39N3O3/c1-2-3-4-11-19(25)21(27)18-10-7-9-17-16-20(26)23-14-6-5-12-22-13-8-15-24(17)18/h7,10,17-19,21-22,25,27H,2-6,8-9,11-16H2,1H3,(H,23,26)/t17-,18-,19+,21-/m0/s1
InChIKey: KZZKPJBKEJKNAK-HUUJSLGLSA-N
Reference
Constituents of Cannabis sativa L. XVII. A Review of the Natural Constituents
PubChem CID: 442846
CAS: 57682-64-1
LOTUS: LTS0146003
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cannabis sativa | Cannabis | Cannabaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 381.56100000000026
TPSA？: 88.32
MolLogP？: 2.4077
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|