acompound

Showing entry for Aesculin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0002053
Compound Name	Aesculin
Structure
Formula	C15H16O9
InchiKey	XHCADAYNFIFUHF-UHFFFAOYSA-N
SMILES	OCC1OC(OC2=C(O)C=C3OC(=O)C=CC3=C2)C(O)C(O)C1O
Inchi	InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2
IUPAC	7-hydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one
Molecular Weight	340.28
Pubchem Id	5351506
Chembl Id	CHEMBL359043

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

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
reviewed	BXGT005644	Cationic trypsin	reviewed		-	-	150000	-	-
reviewed	BXGT005631	Prothrombin	reviewed		F2	-	250000	-	-
reviewed	BXGT005641	Urokinase-type plasminogen activator	reviewed	Enzyme	PLAU	-	25000	-	-
reviewed	BXGT005648	Chymotrypsin-like elastase family member 1	reviewed		CELA1	-	100000	-	-

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
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	13335	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00020	Mugwort	Artemisia vulgaris	Herbs and Spices
BXGF00049	Chicory	Cichorium intybus	Vegetables
BXGF00088	Barley	Hordeum vulgare	Cereals and cereal products
BXGF00098	Lentils	Lens culinaris	Pulses
BXGF00119	Sweet basil	Ocimum basilicum	Herbs and Spices
BXGF00121	Olive	Olea europaea	Vegetables
BXGF00134	Common bean	Phaseolus vulgaris	Pulses
BXGF00162	Red raspberry	Rubus idaeus	Fruits
BXGF00248	Beer		Beverages
BXGF01727	Fraxinus ornus	Fraxinus ornus	Medicinal Plant
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF05416	Euphorbia lathyris	Euphorbia lathyris	Medicinal Plant
BXGF06238	Gardenia jasminoides	Gardenia jasminoides	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}