[(1S,7S,7aS)-7-hydroxy-hexahydro-1H-pyrrolizin-1-yl]methyl 3-methyl-2-(propanoyloxy)but-2-enoate
AlkaPlorer ID: AK174992
Synonym: None
IUPAC Name: [(1S,7S,8S)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 3-methyl-2-propanoyloxybut-2-enoate
Structure
SMILES: CCC(=O)OC(C(=O)OC[C@H]1CCN2CC[C@H](O)[C@H]12)=C(C)C
InChI: InChI=1S/C16H25NO5/c1-4-13(19)22-15(10(2)3)16(20)21-9-11-5-7-17-8-6-12(18)14(11)17/h11-12,14,18H,4-9H2,1-3H3/t11-,12+,14+/m1/s1
InChIKey: NMRSHEVQVPUILM-DYEKYZERSA-N
Reference
The Pyrrolizidine Alkaloids from Senecio racemosus
PubChem CID: 15102285
LOTUS: LTS0233276
SuperNatural Ⅲ: SN0249717-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ligularia fischeri | Ligularia | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 311.378
TPSA？: 76.07000000000001
MolLogP？: 1.2317999999999998
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|