7-({[(2E)-3-hydroxyprop-2-enoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl (2E)-2-methylbut-2-enoate
AlkaPlorer ID: AK024299
Synonym: None
IUPAC Name: [(1R,8R)-7-[[(Z)-3-hydroxyprop-2-enoyl]oxymethyl]-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] (E)-2-methylbut-2-enoate
Structure
SMILES: C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)/C=C\O)[C@H]12
InChI: InChI=1S/C16H21NO5/c1-3-11(2)16(20)22-13-5-8-17-7-4-12(15(13)17)10-21-14(19)6-9-18/h3-4,6,9,13,15,18H,5,7-8,10H2,1-2H3/b9-6-,11-3+/t13-,15-/m1/s1
InChIKey: KREIPAAFIFMOKA-QXCUTPQZSA-N
Reference
Pyrrolizidine alkaloids in members of the Boraginaceae from Sinai (Egypt)
PubChem CID: 163071287
LOTUS: LTS0022992
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alkanna orientalis | Alkanna | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 307.34599999999995
TPSA？: 76.07
MolLogP？: 1.4936
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|