Molecule

(1R,7aR)-7-(hydroxymethyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl (2S,3S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylpentanoate

AlkaPlorer ID: AK094237

Synonym: None

IUPAC Name: [(1R,8R)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] (2S,3S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylpentanoate

Structure

SMILES: CC[C@H](C)[C@@](O)(C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12)[C@H](C)O

InChI: InChI=1S/C16H27NO5/c1-4-10(2)16(21,11(3)19)15(20)22-13-6-8-17-7-5-12(9-18)14(13)17/h5,10-11,13-14,18-19,21H,4,6-9H2,1-3H3/t10-,11-,13+,14+,16-/m0/s1

InChIKey: JBFPDABFNHGRIT-LQLLHXFESA-N

Reference

Pyrrolizidine alkaloids of Heliotropium spathulatum

PubChem CID: 163015484

LOTUS: LTS0082658

SuperNatural Ⅲ: SN0160813-01

NPASS: NPC151111

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ranunculus chinensis	Ranunculus	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Schisandra rubriflora	Schisandra	Schisandraceae	Austrobaileyales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Diplacus aurantiacus	Diplacus	Phrymaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dillenia pentagyna	Dillenia	Dilleniaceae	Dilleniales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 313.39399999999995

TPSA？: 90.23

MolLogP？: 0.0627999999999998

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi