Cynometrine; N1-De-Me
AlkaPlorer ID: AK195845
Synonym: N1-Demethylcynometrine
IUPAC Name: 3-[hydroxy(phenyl)methyl]-4-(1H-imidazol-5-yl)-1-methylpyrrolidin-2-one
Structure
SMILES: CN1CC(C2=CN=CN2)C(C(O)C2=CC=CC=C2)C1=O
InChI: InChI=1S/C15H17N3O2/c1-18-8-11(12-7-16-9-17-12)13(15(18)20)14(19)10-5-3-2-4-6-10/h2-7,9,11,13-14,19H,8H2,1H3,(H,16,17)
InChIKey: SWOUMBVGTZBCCP-UHFFFAOYSA-N
Reference
Imidazole alkaloids from Cynometra hankei
PubChem CID: 15288648
LOTUS: LTS0105819
COCONUT: CNP0263911
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cynometra hankei | Cynometra | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 271.32000000000005
TPSA？: 69.22
MolLogP？: 1.3151
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|