acompound

Showing entry for swertiamarin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0012471
Compound Name	swertiamarin
Structure
Formula	C16H22O10
InchiKey	HEYZWPRKKUGDCR-QBXMEVCASA-N
SMILES	C=C[C@H]1[C@@H](OC=C2[C@@]1(O)CCOC2=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Inchi	InChI=1S/C16H22O10/c1-2-7-14(24-6-8-13(21)23-4-3-16(7,8)22)26-15-12(20)11(19)10(18)9(5-17)25-15/h2,6-7,9-12,14-15,17-20,22H,1,3-5H2/t7-,9+,10+,11-,12+,14-,15-,16+/m0/s1
IUPAC	(3S,4R,4aR)-4-ethenyl-4a-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one
Molecular Weight	374.12
Pubchem Id	442435
Chembl Id	CHEMBL456138

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
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	23109	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
BXGF01625	Nitraria tangutorum	Nitraria tangutorum	Medicinal Plant
BXGF01830	Swertia pseudochinensis	Swertia pseudochinensis	Medicinal Plant
BXGF01973	Lonicera japonica	Lonicera japonica	Medicinal Plant
BXGF02644	Gentiana rigescens	Gentiana rigescens	Medicinal Plant
BXGF03063	Gentiana straminea	Gentiana straminea	Medicinal Plant
BXGF03146	Swertia leducii	Swertia leducii	Others
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
BXGF05124	Gentiana crassicaulis	Gentiana crassicaulis	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}