acompound

Showing entry for Morroniside

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0003851
Compound Name	Morroniside
Structure
Formula	C17H26O11
InchiKey	YTZSBJLNMIQROD-DLLKOCMPSA-N
SMILES	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2[C@H](C)OC(O)CC12
Inchi	InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7?,9+,10?,11?,12+,13-,14+,16-,17-/m0/s1
IUPAC	methyl (1S,8S)-6-hydroxy-8-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,8H,8aH-pyrano[3,4-c]pyran-4-carboxylate
Molecular Weight	406.38
Pubchem Id	25178022
Chembl Id	CHEMBL2136065

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	-	51	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00166	Black elderberry	Sambucus nigra	Fruits
BXGF00402	Opium poppy	Papaver somniferum	Herbs and Spices
BXGF01426	Cornus officinalis	Cornus officinalis	Medicinal Plant
BXGF01905	Lonicera tatarica var. morrowii	Lonicera tatarica var. morrowii	Others
BXGF02672	Papaver commutatum	Papaver commutatum	Medicinal Plant
BXGF05001	Stephania cepharantha	Stephania cepharantha	Medicinal Plant
BXGF06148	Patrinia villosa	Patrinia villosa	Medicinal Plant

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}