Heleurine
AlkaPlorer ID: AK012600
Synonym: '(-)-Heleurine', 'O3-Methylsupinine'
IUPAC Name: [(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoate
Structure
SMILES: CO[C@H](C)[C@](O)(C(=O)OCC1=CCN2CCC[C@@H]12)C(C)C
InChI: InChI=1S/C16H27NO4/c1-11(2)16(19,12(3)20-4)15(18)21-10-13-7-9-17-8-5-6-14(13)17/h7,11-12,14,19H,5-6,8-10H2,1-4H3/t12-,14+,16+/m1/s1
InChIKey: AORFDVNAPHMKAU-INWMFGNUSA-N
Reference
Pyrrolizidine Alkaloids of Heliotropium bacciferum Forssk from Egypt
PubChem CID: 12310403
LOTUS: LTS0018541
SuperNatural Ⅲ: SN0011210-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Heliotropium europaeum | Heliotropium | Heliotropiaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 297.395
TPSA？: 59.00000000000001
MolLogP？: 1.356
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|