5,7-Dihydroxy-8-(2-piperidinyl)flavone; O5,N-Di-Me
AlkaPlorer ID: AK296439
Synonym: Buchenavianine
IUPAC Name: 7-hydroxy-5-methoxy-8-(1-methylpiperidin-2-yl)-2-phenylchromen-4-one
Structure
SMILES: COC1=CC(O)=C(C2CCCCN2C)C2=C1C(=O)C=C(C1=CC=CC=C1)O2
InChI: InChI=1S/C22H23NO4/c1-23-11-7-6-10-15(23)20-16(24)13-19(26-2)21-17(25)12-18(27-22(20)21)14-8-4-3-5-9-14/h3-5,8-9,12-13,15,24H,6-7,10-11H2,1-2H3
InChIKey: XLJBNMLKEZOFPM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Buchenavia | Combretaceae | Myrtales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 365.429
TPSA？: 62.91
MolLogP？: 4.331000000000003
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | CEM-SS | IC50 | 5700.0 | nM | 10.1021/np50080a008 |
| Homo sapiens | Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | 10000.0 | nM | 10.1021/jm201727w |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | Activity | 50.0 | % | 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 | 10000.0 | nM | 10.1021/jm201727w |