(1S,7aR)-1-hydroxy-7-({[(2R)-2-hydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-4-ium-4-olate
AlkaPlorer ID: AK504576
Synonym: None
IUPAC Name: [(7S,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoate
Structure
SMILES: CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)C(C)C
InChI: InChI=1S/C16H27NO6/c1-10(2)16(20,11(3)22-4)15(19)23-9-12-5-7-17(21)8-6-13(18)14(12)17/h5,10-11,13-14,18,20H,6-9H2,1-4H3/t11-,13+,14-,16+,17?/m1/s1
InChIKey: QSTHEUSPIBEICI-MCAMCBDESA-N
Reference
The Alkaloids of Heliotropium europaeum L.. I. Heliotrine and Lasiocarpine
PubChem CID: 5355258
LOTUS: LTS0101399
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 329.393
TPSA？: 99.05
MolLogP？: 0.3393999999999995
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Heterodera schachtii | Heterodera schachtii | MIC50 | 77400.0 | ug.mL-1 | 10.1002/ps.1764 |
| Heterodera schachtii | Heterodera schachtii | MIC50 | nan | None | 10.1002/ps.1764 |
| Meloidogyne incognita | Meloidogyne incognita | MIC50 | 900.0 | ug.mL-1 | 10.1002/ps.1764 |
| Meloidogyne incognita | Meloidogyne incognita | MIC50 | 1700.0 | ug.mL-1 | 10.1002/ps.1764 |
| Meloidogyne incognita | Meloidogyne incognita | MIC50 | 4800.0 | ug.mL-1 | 10.1002/ps.1764 |
| Pratylenchus penetrans | Pratylenchus penetrans | MIC50 | nan | None | 10.1002/ps.1764 |
| Rhabditis sp. | Rhabditis sp. | Activity | 0.0 | % | 10.1002/ps.1764 |
| Rhabditis sp. | Rhabditis sp. | Activity | 55.0 | % | 10.1002/ps.1764 |
| Rhabditis sp. | Rhabditis sp. | Activity | 68.0 | % | 10.1002/ps.1764 |
| Rhabditis sp. | Rhabditis sp. | Activity | nan | None | 10.1002/ps.1764 |
| Rhabditis sp. | Rhabditis sp. | MIC50 | nan | None | 10.1002/ps.1764 |