acompound

Showing entry for gentiopicroside

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0022048
Compound Name	gentiopicroside
Structure
Formula	C16H20O9
InchiKey	DUAGQYUORDTXOR-GPQRQXLASA-N
SMILES	C=C[C@H]1[C@@H](OC=C2C1=CCOC2=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Inchi	InChI=1S/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2/t7-,10-,11-,12+,13-,15+,16+/m1/s1
IUPAC	(3S,4R)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one
Molecular Weight	356.11
Pubchem Id	88708
Chembl Id	CHEMBL508320

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM

CHEMBL

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	891	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	100000	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	50118	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00846	Gentiana lutea	Gentiana lutea	Vegetables
BXGF00932	Gentiana scabra	Gentiana scabra	Medicinal Plant
BXGF01426	Cornus officinalis	Cornus officinalis	Medicinal Plant
BXGF01830	Swertia pseudochinensis	Swertia pseudochinensis	Medicinal Plant
BXGF02644	Gentiana rigescens	Gentiana rigescens	Medicinal Plant
BXGF03063	Gentiana straminea	Gentiana straminea	Medicinal Plant
BXGF03149	Gentiana manshurica	Gentiana manshurica	Medicinal Plant
BXGF03516	Gentiana macrophylla	Gentiana macrophylla	Medicinal Plant
BXGF04357	Gentiana dahurica	Gentiana dahurica	Medicinal Plant
BXGF04537	Swertia japonica	Swertia japonica	Medicinal Plant
BXGF05098	Plantago asiatica	Plantago asiatica	Medicinal Plant
BXGF05124	Gentiana crassicaulis	Gentiana crassicaulis	Medicinal Plant
BXGF06113	Plantago depressa	Plantago depressa	Medicinal Plant
BXGF06121	Gentiana macrophylla pall	Gentiana macrophylla pall	Others

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}