Neostenine

AlkaPlorer ID: AK015923

Synonym: '(+)-Neostenine', 'Isostenine', '(-)-Stenine', 'Stenine'

IUPAC Name: (1R,9R,10R,11S,14R,15S,16R)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one

Structure

SMILES: CC[C@@H]1[C@H]2CCCCN3CC[C@H]([C@@H]4[C@H]1OC(=O)[C@@H]4C)[C@@H]23

copy

InChI: InChI=1S/C17H27NO2/c1-3-11-12-6-4-5-8-18-9-7-13(15(12)18)14-10(2)17(19)20-16(11)14/h10-16H,3-9H2,1-2H3/t10-,11-,12-,13-,14-,15-,16+/m1/s1

copy

InChIKey: ROIHYOJMCBKEER-JUSDVALNSA-N

copy

Properties Information

Molecule Weight: 277.408

TPSA: 29.54

MolLogP: 2.694500000000001

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information