(1R,2R,7R,7aS)-7-chloro-1-acetamido-hexahydro-1H-pyrrolizin-2-yl N-methyl-N-[(1R,3S,7S,8R)-2-oxa-6-azatricyclo[4.2.1.0³,⁷]nonan-8-yl]carbamate
AlkaPlorer ID: AK357420
Synonym: None
IUPAC Name: (1-acetamido-7-chloro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl) N-methyl-N-(2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl)carbamate
Structure
SMILES: CC(O)=NC1C(OC(=O)N(C)C2C3CN4CCC(O3)C24)CN2CCC(Cl)C12
InChI: InChI=1S/C18H27ClN4O4/c1-9(24)20-14-12(7-22-5-3-10(19)15(14)22)27-18(25)21(2)16-13-8-23-6-4-11(26-13)17(16)23/h10-17H,3-8H2,1-2H3,(H,20,24)
InChIKey: CPFZPQRTCRBNRM-UHFFFAOYSA-N
Reference
Lolidine — A new chlorine-containing alkaloid from the seeds of Lolium cuneatum
PubChem CID: 75953658
LOTUS: LTS0204181
COCONUT: CNP0279956.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lolium temulentum | Lolium | Poaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 398.8910000000001
TPSA？: 77.84
MolLogP？: 0.6876000000000011
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|