Molecule

1-(pyridin-4-ylmethylimino)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiourea

AlkaPlorer ID: AK006783

Synonym: None

IUPAC Name: 1-(pyridin-4-ylmethylimino)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiourea

Structure

SMILES: C1=CN=CC=C1CN=NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

InChI: InChI=1S/C13H18N4O5S/c18-6-8-9(19)10(20)11(21)12(22-8)16-13(23)17-15-5-7-1-3-14-4-2-7/h1-4,8-12,18-21H,5-6H2,(H,16,23)/t8-,9-,10+,11-,12-/m1/s1

InChIKey: ZIWIJAYIGLKGRL-RMPHRYRLSA-N

Reference

Combination of Pseudo‐Natural Product Design and Formal Natural Product Ring Distortion Yields Stereochemically and Biologically Diverse Pseudo‐Sesquiterpenoid Alkaloids

PubChem CID: 49831055

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 342.3770000000001

TPSA？: 139.79000000000002

MolLogP？: -1.2917999999999998

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi