UNPD110719
AlkaPlorer ID: AK503171
Synonym: None
IUPAC Name: [7-(chloromethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 2-methylbut-2-enoate
Structure
SMILES: CC=C(C)C(=O)OC1CCN2CC=C(CCl)C12
InChI: InChI=1S/C13H18ClNO2/c1-3-9(2)13(16)17-11-5-7-15-6-4-10(8-14)12(11)15/h3-4,11-12H,5-8H2,1-2H3
InChIKey: QPMBQTBGLNEAQX-UHFFFAOYSA-N
Reference
Pyrrolizidine alkaloids from Cynoglossum creticum
PubChem CID: 163056537
LOTUS: LTS0172045
COCONUT: CNP0342810.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cynoglossum creticum | Cynoglossum | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 255.74499999999995
TPSA？: 29.54
MolLogP？: 2.1175
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|