Molecule

Asperidine B

AlkaPlorer ID: AK116151

Synonym: None

IUPAC Name: (2S,3S,6R)-2-benzyl-1-methyl-6-octylpiperidin-3-ol

Structure

SMILES: CCCCCCCC[C@@H]1CC[C@H](O)[C@H](CC2=CC=CC=C2)N1C

InChI: InChI=1S/C21H35NO/c1-3-4-5-6-7-11-14-19-15-16-21(23)20(22(19)2)17-18-12-9-8-10-13-18/h8-10,12-13,19-21,23H,3-7,11,14-17H2,1-2H3/t19-,20+,21+/m1/s1

InChIKey: IFEQGXBZTSVFMN-HKBOAZHASA-N

Reference

Asperidines A–C, pyrrolidine and piperidine derivatives from the soil-derived fungus Aspergillus sclerotiorum PSU-RSPG178

PubChem CID: 145984546

LOTUS: LTS0150845

{

NPAtlas: NPA027756

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus sclerotiorum	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 317.517

TPSA？: 23.47

MolLogP？: 4.803400000000004

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Chlorocebus sabaeus	Vero	IC50	51500.0	nM	10.1016/j.bmc.2018.07.036
Homo sapiens	Caco-2	Activity	nan	None	10.1016/j.bmc.2018.07.036
Homo sapiens	Cystic fibrosis transmembrane conductance regulator	Inhibition	nan	%	10.1016/j.bmc.2018.07.036
Homo sapiens	HMG-CoA reductase	Inhibition	29.0	%	10.1016/j.bmc.2018.07.036