Molecule

(-)-Santiaguine

AlkaPlorer ID: AK031937

Synonym: '', '(-)-Santiaguine'

IUPAC Name: [2,4-diphenyl-3-[5-[(2R)-piperidin-2-yl]-3,4-dihydro-2H-pyridine-1-carbonyl]cyclobutyl]-[5-[(2S)-piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]methanone

Structure

SMILES: O=C([C@H]1[C@@H](C2=CC=CC=C2)[C@H](C(=O)N2C=C([C@H]3CCCCN3)CCC2)[C@@H]1C1=CC=CC=C1)N1C=C([C@@H]2CCCCN2)CCC1

InChI: InChI=1S/C38H48N4O2/c43-37(41-23-11-17-29(25-41)31-19-7-9-21-39-31)35-33(27-13-3-1-4-14-27)36(34(35)28-15-5-2-6-16-28)38(44)42-24-12-18-30(26-42)32-20-8-10-22-40-32/h1-6,13-16,25-26,31-36,39-40H,7-12,17-24H2/t31-,32+,33+,34+,35-,36-

InChIKey: OHNNTQXKHRISJP-HUGZJYSKSA-N

Reference

SuperNatural Ⅲ: SN0265592-06

NPASS: NPC62848

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Agave sisalana	Agave	Asparagaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Nectria inventa	Nectria	Nectriaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Cicuta virosa	Cicuta	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Alternaria alternata	Alternaria	Pleosporaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 592.828

TPSA？: 64.68

MolLogP？: 6.096800000000006

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi