acompound

Showing entry for Mulberrin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0000349
Compound Name	Mulberrin
Structure
Formula	C25H26O6
InchiKey	UWQYBLOHTQWSQD-UHFFFAOYSA-N
SMILES	CC(C)=CCC1=C2OC(=C(CC=C(C)C)C(=O)C2=C(O)C=C1O)C1=C(O)C=C(O)C=C1
Inchi	InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3
IUPAC	2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-en-1-yl)-4H-chromen-4-one
Molecular Weight	422.47
Pubchem Id	5481958
Chembl Id	CHEMBL518543

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	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	134900	-	-
reviewed	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	>3.00e+5	-	-
reviewed	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	80.5	-	-	-
reviewed	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	-	3400	-	-
reviewed	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	2200	-	-	-
reviewed	BXGT005592	Pancreatic triacylglycerol lipase	reviewed		PNLIP	-	18600	-	-
reviewed	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	-	62000	-	-
reviewed	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	-	>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
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	IC50	'='	3400	nM
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	IC50	'>'	100000	nM
P06276	BXGT006430	Cholinesterase	reviewed	-	BCHE	IC50	'='	1700	nM
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	IC50	'='	62000	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Ki	'='	3100	nM
P00591	BXGT005592	Pancreatic triacylglycerol lipase	reviewed	-	PNLIP	IC50	'='	18600	nM
P00591	BXGT005592	Pancreatic triacylglycerol lipase	reviewed	-	PNLIP	Inhibition	'='	72	%
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	Ki	'='	2200	nM
Q08499	BXGT012988	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	reviewed	-	PDE4D	IC50	'='	310	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00351	Jackfruit	Artocarpus heterophyllus	Fruits
BXGF00823	Fruits		Fruits
BXGF01238	Morus australis	Morus australis	Medicinal Plant
BXGF02214	Morus bombycis	Morus bombycis	Medicinal Plant
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF05476	Broussonetia papyrifera	Broussonetia papyrifera	Medicinal Plant
BXGF06217	Morus mongolica	Morus mongolica	Medicinal Plant
BXGF06251	Sapindus mukorossi	Sapindus mukorossi	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}