Transtorine

Representations & DB's id
ChEBI:	CHEBI:18344
ChEMBL:	CHEMBL299155
PubChem:	3845
IUPAC:	4-oxo-1H-quinoline-2-carboxylic acid
Standard InChI:	InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
Standard InChI Key:	HCZHHEIFKROPDY-UHFFFAOYSA-N
SMILES:	OC(=O)c1cc(=O)c2c([nH]1)cccc2

Molecular propeties
AlogP:	1.23
Hydrogen bonds acceptors:	2
Hydrogen bonds donors:	2
Rotatable bonds:	1
Number of rings:	2
Molecular Weight:	189.04
Topological polar surface area:	66.4
Number of aromatic rings:	2
Fsp3:	0
Number of carbons:	10

Plant sources

Part of plant	Plant name	Ref.
Plant	Taraxacum officinale

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
Potency	31622.8 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	35481.3 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	12589.3 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	28183.8 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	50118.7 nM	Histone-lysine N-methyltransferase MLL	Q03164
Potency	19952.6 nM	Cytochrome P450 2C19	P33261
Potency	39810.7 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	251.2 nM	Lysosomal alpha-glucosidase	P10253
Potency	31622.8 nM	MAP kinase ERK2	P28482
Potency	19952.6 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	15848.9 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	10000 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	39810.7 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	8912.5 nM	Alpha-galactosidase A	P06280
Potency	89125.1 nM	Lysine-specific demethylase 4A	O75164
Potency	501.2 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	10000 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	47.4 nM	Chromobox protein homolog 1	P83916
Potency	89125.1 nM	Bromodomain adjacent to zinc finger domain protein 2B	Q9UIF8
EC50	152000 nM	G-protein coupled receptor 35	Q9HC97
EC50	500000 nM	G-protein coupled receptor 35	Q9HC97
Potency	326.4 nM	Geminin	O75496
EC50	217000 nM	G-protein coupled receptor 35	Q9HC97
EC50	300 nM	Aryl hydrocarbon receptor	P35869
IC50	7000 nM	Neuronal acetylcholine receptor protein alpha-7 subunit	P36544
Others	25 %	G-protein coupled receptor 35	Q9HC97
Ki	137000 nM	G-protein coupled receptor 35	Q9HC97
EC50	39200 nM	G-protein coupled receptor 35	Q9HC97
EC50	152000 nM	G-protein coupled receptor 35	Q9HC97

Transtorine

Representations & DB's id

Molecular propeties

Plant sources

In vitro data