5,7-Dihydroxy-8-(2-piperidinyl)flavone
AlkaPlorer ID: AK296438
Synonym: N,O-Bis(demethyl)buchenavianine
IUPAC Name: 5,7-dihydroxy-2-phenyl-8-piperidin-2-ylchromen-4-one
Structure
SMILES: O=C1C=C(C2=CC=CC=C2)OC2=C(C3CCCCN3)C(O)=CC(O)=C12
InChI: InChI=1S/C20H19NO4/c22-14-10-15(23)19-16(24)11-17(12-6-2-1-3-7-12)25-20(19)18(14)13-8-4-5-9-21-13/h1-3,6-7,10-11,13,21-23H,4-5,8-9H2
InChIKey: QNBKXTFSOOMMAF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Buchenavia | Combretaceae | Myrtales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 337.375
TPSA？: 82.7
MolLogP？: 3.685800000000002
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | CEM-SS | IC50 | 142000.0 | nM | 10.1021/np50080a008 |
| Homo sapiens | Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | 5500.0 | nM | 10.1021/jm201727w |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | EC50 | 142000.0 | nM | 10.1021/np50080a008 |
| Mus musculus | Dual specificity protein kinase CLK1 | IC50 | 10000.0 | nM | 10.1021/jm201727w |
| Rattus norvegicus | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | 10000.0 | nM | 10.1021/jm201727w |
| Sus scrofa | Glycogen synthase kinase-3 | IC50 | 10000.0 | nM | 10.1021/jm201727w |
| None | Unchecked | IC50 | 5000.0 | nM | 10.1021/jm201727w |
| None | Unchecked | IC50 | 500000.0 | nM | 10.1016/j.bmc.2017.07.055 |