acompound

Showing entry for Artocarpin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0002081
Compound Name	Artocarpin
Structure
Formula	C26H28O6
InchiKey	KRGDFVQWQJIMEK-RMKNXTFCSA-N
SMILES	COC1=CC2=C(C(O)=C1\C=C\C(C)C)C(=O)C(CC=C(C)C)=C(O2)C1=C(O)C=C(O)C=C1
Inchi	InChI=1S/C26H28O6/c1-14(2)6-9-18-21(31-5)13-22-23(24(18)29)25(30)19(10-7-15(3)4)26(32-22)17-11-8-16(27)12-20(17)28/h6-9,11-14,27-29H,10H2,1-5H3/b9-6+
IUPAC	2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(1E)-3-methylbut-1-en-1-yl]-3-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
Molecular Weight	436.5
Pubchem Id	5458461
Chembl Id	CHEMBL72617

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
P25099	BXGT009016	Adenosine receptor A1	reviewed	-	Adora1	Ki	'='	9090	nM
P30543	BXGT009437	Adenosine receptor A2a	reviewed	-	Adora2a	Displacement	'<'	10	%
P29276	BXGT009329	Adenosine receptor A2b	reviewed	-	Adora2b	Displacement	'<'	10	%
P28647	BXGT009282	Adenosine receptor A3	reviewed	-	Adora3	Ratio	'='	2	-
P25099	BXGT009016	Adenosine receptor A1	reviewed	-	Adora1	Ratio	'='	2	-
P0DMS8	BXGT007506	Adenosine receptor A3	reviewed	G-protein coupled receptor	ADORA3	Ki	'='	4590	nM
P14679	BXGT008039	Tyrosinase	reviewed	Enzyme	TYR	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00285	Breadfruit	Artocarpus altilis	Fruits
BXGF00351	Jackfruit	Artocarpus heterophyllus	Fruits
BXGF00823	Fruits		Fruits
BXGF05056	Artocarpus communis	Artocarpus communis	Others
BXGF05476	Broussonetia papyrifera	Broussonetia papyrifera	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}