Cynometrine
AlkaPlorer ID: AK037346
Synonym: '', 'Cynometrine'
IUPAC Name: (3S,4R)-3-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-(1-methylimidazol-4-yl)pyrrolidin-2-one
Structure
SMILES: CN1C[C@H](C2=CN(C)C=N2)[C@@H]([C@H](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/t12-,14+,15-/m1/s1
InChIKey: UJMVRXMFOYOOMI-VHDGCEQUSA-N
Reference
Imidazole alkaloids from Cynometra hankei
PubChem CID: 101698762
LOTUS: LTS0047216
SuperNatural Ⅲ: SN0372156-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cynometra hankei | 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 |
|---|