UNPD110719
AlkaPlorer ID: AK100566
Synonym: None
IUPAC Name: [(1S,8R)-7-(chloromethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] (Z)-2-methylbut-2-enoate
Structure
SMILES: C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(CCl)[C@H]12
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/b9-3-/t11-,12+/m0/s1
InChIKey: QPMBQTBGLNEAQX-ZVRIXJHSSA-N
Reference
Pyrrolizidine alkaloids from Cynoglossum creticum
PubChem CID: 101992989
LOTUS: LTS0146794
SuperNatural Ⅲ: SN0311691-01
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 |
|---|