Cynometrine
AlkaPlorer ID: AK293996
Synonym: None
IUPAC Name: 3-[hydroxy(phenyl)methyl]-1-methyl-4-(1-methylimidazol-4-yl)pyrrolidin-2-one
Structure
SMILES: CN1CC(C2=CN(C)C=N2)C(C(O)C2=CC=CC=C2)C1=O
InChI: InChI=1S/C16H19N3O2/c1-18-9-13(17-10-18)12-8-19(2)16(21)14(12)15(20)11-6-4-3-5-7-11/h3-7,9-10,12,14-15,20H,8H2,1-2H3
InChIKey: UJMVRXMFOYOOMI-UHFFFAOYSA-N
Reference
Imidazole alkaloids from Cynometra hankei
PubChem CID: 4485532
CAS: 50656-83-2
LOTUS: LTS0241643
COCONUT: CNP0135417.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cynometra lujae | Cynometra | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Cynometra hankei | Cynometra | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Cynometra ananta | Cynometra | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 285.34700000000004
TPSA？: 58.36000000000001
MolLogP？: 1.3255
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|