acompound

Showing entry for Isoxanthohumol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0005980
Compound Name	Isoxanthohumol
Structure
Formula	C21H22O5
InchiKey	YKGCBLWILMDSAV-UHFFFAOYSA-N
SMILES	COC1=C2C(=O)CC(OC2=C(CC=C(C)C)C(O)=C1)C1=CC=C(O)C=C1
Inchi	InChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3
IUPAC	7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one
Molecular Weight	354.4
Pubchem Id	513197
Chembl Id	CHEMBL492828

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	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	-	27700	-	-
reviewed	BXGT008294	Protein kinase C alpha type	reviewed	Kinase	PRKCA	-	45300	-	-
reviewed	BXGT004177	3-phosphoinositide-dependent protein kinase 1	reviewed	Kinase	PDPK1	-	58700	-	-
reviewed	BXGT012781	Protein kinase C theta type	reviewed	Kinase	PRKCQ	-	31600	-	-

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
Q04759	BXGT012781	Protein kinase C theta type	reviewed	Kinase	PRKCQ	IC50	'='	31600	nM
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	Ki	-	-	-
O15530	BXGT004177	3-phosphoinositide-dependent protein kinase 1	reviewed	Kinase	PDPK1	IC50	'='	58700	nM
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	IC50	'='	27700	nM
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Emax	'='	80	%
Q64669	BXGT016128	NAD(P)H dehydrogenase [quinone] 1	reviewed	-	Nqo1	CD	'>'	50	uM
P17252	BXGT008294	Protein kinase C alpha type	reviewed	Kinase	PRKCA	IC50	'='	45300	nM
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	EC50	'='	1400	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00248	Beer		Beverages
BXGF00806	Alcoholic beverages		Beverages
BXGF01721	Humulus lupulus	Humulus lupulus	Medicinal Plant
BXGF02852	Sophora flavescens	Sophora flavescens	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}