Cynodine; N1-De-Me
AlkaPlorer ID: AK118607
Synonym: N1-Demethylcynodine
IUPAC Name: [[4-(1H-imidazol-5-yl)-1-methyl-2-oxopyrrolidin-3-yl]-phenylmethyl] benzoate
Structure
SMILES: CN1CC(C2=CN=CN2)C(C(OC(=O)C2=CC=CC=C2)C2=CC=CC=C2)C1=O
InChI: InChI=1S/C22H21N3O3/c1-25-13-17(18-12-23-14-24-18)19(21(25)26)20(15-8-4-2-5-9-15)28-22(27)16-10-6-3-7-11-16/h2-12,14,17,19-20H,13H2,1H3,(H,23,24)
InChIKey: MSVMMGAYQMSSSG-UHFFFAOYSA-N
Reference
Imidazole alkaloids from Cynometra hankei
PubChem CID: 162869099
LOTUS: LTS0246171
COCONUT: CNP0133248
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cynometra hankei | Cynometra | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 375.4280000000001
TPSA？: 75.29
MolLogP？: 3.179800000000002
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|