(-)-Santiaguine
AlkaPlorer ID: AK031936
Synonym: '', '(-)-Santiaguine'
IUPAC Name: [2,4-diphenyl-3-[5-[(2R)-piperidin-2-yl]-3,4-dihydro-2H-pyridine-1-carbonyl]cyclobutyl]-[5-[(2R)-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-/m1/s1
InChIKey: OHNNTQXKHRISJP-HLPCWDLKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nectria inventa | Nectria | Nectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | 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 |
|---|