(hexahydro-1H-pyrrolizin-1-yl)methyl 3-(acetyloxy)-2-hydroxy-2-(propan-2-yl)butanoate
AlkaPlorer ID: AK480860
Synonym: None
IUPAC Name: [(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2S)-2-[(1R)-1-acetyloxyethyl]-2-hydroxy-3-methylbutanoate
Structure
SMILES: CC(=O)O[C@H](C)[C@](O)(C(=O)OC[C@@H]1CCN2CCC[C@@H]12)C(C)C
InChI: InChI=1S/C17H29NO5/c1-11(2)17(21,12(3)23-13(4)19)16(20)22-10-14-7-9-18-8-5-6-15(14)18/h11-12,14-15,21H,5-10H2,1-4H3/t12-,14+,15+,17+/m1/s1
InChIKey: OPIPQZJQFXCYJD-DYWXZXKOSA-N
Reference
Bioactive saturated pyrrolizidine alkaloids from Heliotropium floridum
PubChem CID: 10806120
LOTUS: LTS0217103
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Heliotropium floridum | Heliotropium | Heliotropiaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 327.42100000000005
TPSA？: 76.07
MolLogP？: 1.3525999999999998
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Leptinotarsa decemlineata | Leptinotarsa decemlineata | Activity | 5.0 | % | 10.1021/np980175a |
| Leptinotarsa decemlineata | Leptinotarsa decemlineata | EC50 | 1.79 | microg/cm2 | 10.1021/np980175a |
| Leptinotarsa decemlineata | Leptinotarsa decemlineata | EC50 | 2.92 | microg/cm2 | 10.1021/np980175a |