Molecule

5,7-Dihydroxy-8-(2-piperidinyl)flavone; N-Me

AlkaPlorer ID: AK296440

Synonym: O-Demethylbuchenavianine

IUPAC Name: 5,7-dihydroxy-8-(1-methylpiperidin-2-yl)-2-phenylchromen-4-one

Structure

SMILES: CN1CCCCC1C1=C(O)C=C(O)C2=C1OC(C1=CC=CC=C1)=CC2=O

InChI: InChI=1S/C21H21NO4/c1-22-10-6-5-9-14(22)19-15(23)11-16(24)20-17(25)12-18(26-21(19)20)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,23-24H,5-6,9-10H2,1H3

InChIKey: BBZGOLNDVQZCIH-UHFFFAOYSA-N

Reference

ChemInform Abstract: FIRST TRUE ALKALOIDS ISOLATED FROM COMBRETACEAE BUCHENAVIA MACROPHYLLA EICHL AND BUCHENAVIA CAPITATA EICHL

PubChem CID: 5352072

CAS: 91147-18-1

LOTUS: LTS0203851

NPASS: NPC327005

COCONUT: CNP0210320.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 351.40200000000004

TPSA？: 73.91

MolLogP？: 4.028000000000004

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Escherichia coli	Escherichia coli	Activity	nan	None	10.1021/np50080a008
Homo sapiens	CEM-SS	IC50	660.0	nM	10.1021/np50080a008
Homo sapiens	Cyclin-dependent kinase 5/CDK5 activator 1	IC50	1700.0	nM	10.1021/jm201727w
Human immunodeficiency virus 1	Human immunodeficiency virus 1	Activity	nan	None	10.1021/np50080a008
Human immunodeficiency virus 1	Human immunodeficiency virus 1	EC50	260.0	nM	10.1021/np0003995
Human immunodeficiency virus 1	Human immunodeficiency virus 1	EC50	260.0	nM	10.1021/np50080a008
Human immunodeficiency virus 1	Human immunodeficiency virus type 1 reverse transcriptase	Activity	nan	None	10.1021/np50080a008
Human immunodeficiency virus 1	Protease	Activity	nan	None	10.1021/np50080a008
Human immunodeficiency virus 2	Human immunodeficiency virus 2	Activity	nan	None	10.1021/np50080a008
Mus musculus	Dual specificity protein kinase CLK1	IC50	8500.0	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	5100.0	nM	10.1021/jm201727w
None	ADMET	TI	3.0	None	10.1021/np0003995
None	NON-PROTEIN TARGET	LC50	100.0	nM	10.1021/np50080a008
None	Unchecked	Activity	nan	None	10.1021/np50080a008
None	Unchecked	IC50	90.0	nM	10.1021/jm201727w