Pipercallosidine
AlkaPlorer ID: AK319410
Synonym: None
IUPAC Name: (E)-7-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)hept-2-enamide
Structure
SMILES: CC(C)CN=C(O)/C=C/CCCCC1=CC=C2OCOC2=C1
InChI: InChI=1S/C18H25NO3/c1-14(2)12-19-18(20)8-6-4-3-5-7-15-9-10-16-17(11-15)22-13-21-16/h6,8-11,14H,3-5,7,12-13H2,1-2H3,(H,19,20)/b8-6+
InChIKey: PWLZXPUSJOUTMB-SOFGYWHQSA-N
Reference
Cytotoxic Amide Alkaloids from <i>Piper boehmeriaefolium</i>
PubChem CID: 5372065
LOTUS: LTS0139485
SuperNatural Ⅲ: SN0296991-01
NPASS: NPC246974
Source
Properties Information
Molecule Weight: 303.402
TPSA？: 51.05000000000001
MolLogP？: 4.296800000000004
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 40000.0 | nM | 10.1016/j.bmcl.2014.08.063 |
| Homo sapiens | DU-145 | IC50 | 40000.0 | nM | 10.1016/j.bmcl.2014.08.063 |
| Homo sapiens | HepG2 | IC50 | 20.0 | ug.mL-1 | 10.1021/np070089n |
| Homo sapiens | KB | IC50 | 40000.0 | nM | 10.1016/j.bmcl.2014.08.063 |
| Homo sapiens | MCF7 | IC50 | 40000.0 | nM | 10.1016/j.bmcl.2014.08.063 |
| Homo sapiens | MDA-MB-231 | IC50 | 40000.0 | nM | 10.1016/j.bmcl.2014.08.063 |
| Homo sapiens | SK-BR-3 | IC50 | 40000.0 | nM | 10.1016/j.bmcl.2014.08.063 |
| Homo sapiens | WI-38 | IC50 | 20.0 | ug.mL-1 | 10.1021/np070089n |
| Homo sapiens | WI-38 VA13 | IC50 | 20.0 | ug.mL-1 | 10.1021/np070089n |
| Homo sapiens | ZR-75-1 | IC50 | 40000.0 | nM | 10.1016/j.bmcl.2014.08.063 |
| None | NON-PROTEIN TARGET | IC50 | 40000.0 | nM | 10.1016/j.bmcl.2014.08.063 |