Asperidine C
AlkaPlorer ID: AK116156
Synonym: None
IUPAC Name: (2R,4S,5R,6S)-2-nonyl-6-phenyl-7-oxa-1-azabicyclo[3.2.1]octan-4-ol
Structure
SMILES: CCCCCCCCC[C@@H]1C[C@H](O)[C@H]2CN1O[C@@H]2C1=CC=CC=C1
InChI: InChI=1S/C21H33NO2/c1-2-3-4-5-6-7-11-14-18-15-20(23)19-16-22(18)24-21(19)17-12-9-8-10-13-17/h8-10,12-13,18-21,23H,2-7,11,14-16H2,1H3/t18-,19-,20+,21-/m1/s1
InChIKey: ZEKACHFYLSYPOC-MXEMCNAFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus sclerotiorum | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 331.50000000000006
TPSA？: 32.7
MolLogP？: 4.865000000000005
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | Activity | nan | None | 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 | IC50 | 58620.0 | nM | 10.1016/j.bmc.2018.07.036 |
| Homo sapiens | HMG-CoA reductase | Inhibition | nan | % | 10.1016/j.bmc.2018.07.036 |