Skimmianine

Representations & DB's id
ChEBI:	CHEBI:9172
ChEMBL:	CHEMBL21396
PubChem:	6760
IUPAC:	4,7,8-trimethoxyfuro[2,3-b]quinoline
Standard InChI:	InChI=1S/C14H13NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7H,1-3H3
Standard InChI Key:	SLSIBLKBHNKZTB-UHFFFAOYSA-N
SMILES:	COc1ccc2c(c1OC)nc1c(c2OC)cco1

Molecular propeties
AlogP:	3.01
Hydrogen bonds acceptors:	5
Hydrogen bonds donors:	0
Rotatable bonds:	3
Number of rings:	3
Molecular Weight:	259.08
Topological polar surface area:	53.7
Number of aromatic rings:	3
Fsp3:	0.214
Number of carbons:	14

Plant sources

Activity Type	Activity Value	Target Name	UniProt ID
Potency	3162.3 nM	Prelamin-A/C	P02545
Potency	12589.3 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	12589.3 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	12589.3 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	28183.8 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	14125.4 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	7943.3 nM	Thyroid stimulating hormone receptor	P16473
Potency	10000 nM	Cytochrome P450 2C19	P33261
Potency	28183.8 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	10000 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	31622.8 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	14125.4 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	14125.4 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	5011.9 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	25118.9 nM	Cellular tumor antigen p53	P04637
Potency	12589.3 nM	Cytochrome P450 3A4	P08684
Potency	7943.3 nM	Cytochrome P450 3A4	P08684
Potency	19952.6 nM	Cytochrome P450 2D6	P10635
Potency	12589.3 nM	Cytochrome P450 3A4	P08684
Potency	7943.3 nM	Cytochrome P450 3A4	P08684
Potency	25118.9 nM	Histone acetyltransferase GCN5	Q92830
Potency	18348.9 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	920 nM	Geminin	O75496
IC50	8.6 ug/ml	Acetylcholinesterase	P22303
Others	91.3 %	Acetylcholinesterase	P22303