Molecule

(2E)-1-(3,4-dihydroxypyrrolidin-1-yl)-3-phenylprop-2-en-1-one

AlkaPlorer ID: AK131153

Synonym: None

IUPAC Name: (E)-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-phenylprop-2-en-1-one

SMILES: O=C(/C=C/C1=CC=CC=C1)N1C[C@H](O)[C@@H](O)C1

InChI: InChI=1S/C13H15NO3/c15-11-8-14(9-12(11)16)13(17)7-6-10-4-2-1-3-5-10/h1-7,11-12,15-16H,8-9H2/b7-6+/t11-,12-/m0/s1

InChIKey: XSJGDQTVPSRYCA-KZQRZKTQSA-N

PubChem CID: 52326187

NPASS: NPC68795

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Oocystis polymorpha	Oocystis	Oocystaceae	Chlorellales	Trebouxiophyceae	Chlorophyta	Viridiplantae	Eukaryota
Rubus pileatus	Rubus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Phoebe grandis	Phoebe	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ardisia japonica	Ardisia	Primulaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Piper sarmentosum	Piper	Piperaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aglaia perviridis	Aglaia	Meliaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Acanthosyris paulo-alvinii	Acanthosyris	Cervantesiaceae	Santalales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Betula alnoides	Betula	Betulaceae	Fagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 233.267

TPSA？: 60.77000000000001

MolLogP？: 0.2638

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
None	Unchecked	IC50	747400.0	nM	10.1016/j.bmcl.2017.04.078