8-Azabicyclo[3.2.1]octan-3-ol; (1RS,3RS,5SR)-form, O-Cinnamoyl(E-)
AlkaPlorer ID: AK289917
Synonym: Nortropinyl cinnamate
IUPAC Name: 8-azabicyclo[3.2.1]octan-3-yl (E)-3-phenylprop-2-enoate
Structure
SMILES: O=C(/C=C/C1=CC=CC=C1)OC1CC2CCC(C1)N2
InChI: InChI=1S/C16H19NO2/c18-16(9-6-12-4-2-1-3-5-12)19-15-10-13-7-8-14(11-15)17-13/h1-6,9,13-15,17H,7-8,10-11H2/b9-6+
InChIKey: PTRNNLVBSHIELL-RMKNXTFCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pellacalyx axillaris | Pellacalyx | Rhizophoraceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 257.3329999999999
TPSA？: 38.33
MolLogP？: 2.526
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | ASPC1 | Activity | nan | None | 10.1021/acs.jnatprod.1c00374 |
| Homo sapiens | BXPC-3 | Activity | nan | None | 10.1021/acs.jnatprod.1c00374 |
| Homo sapiens | MRC5 | Activity | nan | None | 10.1021/acs.jnatprod.1c00374 |
| Homo sapiens | PANC-1 | Activity | nan | None | 10.1021/acs.jnatprod.1c00374 |
| Homo sapiens | SW1990 | Activity | nan | None | 10.1021/acs.jnatprod.1c00374 |
| Rattus norvegicus | Trachea | EC50 | 440.0 | nM | 10.1021/acs.jnatprod.1c00374 |
| Rattus norvegicus | Trachea | Emax | 82.5 | % | 10.1021/acs.jnatprod.1c00374 |