(1S,7aR)-1-({[(2S,3S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylpentanoyl]oxy}methyl)-hexahydro-1H-pyrrolizin-4-ium-4-olate
AlkaPlorer ID: AK221548
Synonym: None
IUPAC Name: [(1S,4R,8R)-4-oxido-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl (2S,3S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylpentanoate
Structure
SMILES: CC[C@H](C)[C@@](O)(C(=O)OC[C@H]1CC[N@+]2([O-])CCC[C@H]12)[C@H](C)O
InChI: InChI=1S/C16H29NO5/c1-4-11(2)16(20,12(3)18)15(19)22-10-13-7-9-17(21)8-5-6-14(13)17/h11-14,18,20H,4-10H2,1-3H3/t11-,12-,13+,14+,16-,17+/m0/s1
InChIKey: IOELOYWUEMCABZ-LZPFBYMJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Heliotropium curassavicum | Heliotropium | Heliotropiaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Simarouba amara | Simarouba | Simaroubaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Indigofera aspalathoides | Indigofera | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 315.41
TPSA？: 89.82000000000001
MolLogP？: 1.1844999999999997
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|