Molecule

Supinine

AlkaPlorer ID: AK011954

Synonym: '', 'Amabiline', 'Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, (7aS-(7(2R*,3S*),7aR*))-', 'Supinine', 'Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester', 'amabiline'

IUPAC Name: [(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate

Structure

SMILES: CC(C)[C@](O)(C(=O)OCC1=CCN2CCC[C@@H]12)[C@H](C)O

InChI: InChI=1S/C15H25NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3/t11-,13-,15+/m0/s1

InChIKey: DRVWTOSBCBKXOR-CORIIIEPSA-N

Reference

Minor alkaloids of Heliotropium curassavicum

PubChem CID: 162959176

LOTUS: LTS0101980

SuperNatural Ⅲ: SN0073773-01

NPASS: NPC262557

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ranunculus chinensis	Ranunculus	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Heliotropium curassavicum	Heliotropium	Heliotropiaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Schisandra rubriflora	Schisandra	Schisandraceae	Austrobaileyales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Simarouba amara	Simarouba	Simaroubaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Diplacus aurantiacus	Diplacus	Phrymaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Indigofera aspalathoides	Indigofera	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dillenia pentagyna	Dillenia	Dilleniaceae	Dilleniales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 283.36799999999994

TPSA？: 70.0

MolLogP？: 0.7018999999999995

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi