caulophyllumine B
AlkaPlorer ID: AK141080
Synonym: '(-)-Caulophyllumine B', 'Caulophyllumine B'
IUPAC Name: 4-[(E)-2-[(2S)-1-methylpiperidin-2-yl]ethenyl]phenol
Structure
SMILES: CN1CCCC[C@H]1/C=C/C1=CC=C(O)C=C1
InChI: InChI=1S/C14H19NO/c1-15-11-3-2-4-13(15)8-5-12-6-9-14(16)10-7-12/h5-10,13,16H,2-4,11H2,1H3/b8-5+/t13-/m0/s1
InChIKey: UKYRYYDKRQVYHH-LJLILKBBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Caulophyllum thalictroides | Caulophyllum | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 217.312
TPSA？: 23.47
MolLogP？: 2.8897000000000013
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 3.45 | ug.mL-1 | 10.1016/j.bmcl.2013.12.108 |
| Homo sapiens | MCF7 | IC50 | 1.51 | ug.mL-1 | 10.1016/j.bmcl.2013.12.108 |
| Homo sapiens | OVCAR-3 | IC50 | 1.94 | ug.mL-1 | 10.1016/j.bmcl.2013.12.108 |