acompound

Showing entry for Gerontoxanthone B

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0031167
Compound Name	Gerontoxanthone B
Structure
Formula	C23H22O6
InchiKey	LGFMLQQVQWNWFN-UHFFFAOYSA-N
SMILES	C=CC(c1c(O)cc2c(c1O)c(=O)c1c(o2)c(O)c2c(c1)C=CC(O2)(C)C)(C)C
Inchi	InChI=1S/C23H22O6/c1-6-22(2,3)16-13(24)10-14-15(18(16)26)17(25)12-9-11-7-8-23(4,5)29-20(11)19(27)21(12)28-14/h6-10,24,26-27H,1H2,2-5H3
IUPAC	7,9,12-trihydroxy-2,2-dimethyl-8-(2-methylbut-3-en-2-yl)pyrano[3,2-b]xanthen-6-one
Molecular Weight	394.14
Pubchem Id	14259057
Chembl Id	CHEMBL478938

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	BXGT007553	Retinoic acid receptor alpha	reviewed	Nuclear receptor	RARA	-	-	-	1700
reviewed	BXGT007553	Retinoic acid receptor alpha	reviewed	Nuclear receptor	RARA	-	-	-	2000

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
P10276	BXGT007553	Retinoic acid receptor alpha	reviewed	Nuclear receptor	RARA	EC50	'='	2000	nM
P35869	BXGT009877	Aryl hydrocarbon receptor	reviewed	Transcription factor	AHR	Activity	-	-	-
P10276	BXGT007553	Retinoic acid receptor alpha	reviewed	Nuclear receptor	RARA	Activity	-	-	-
P35869	BXGT009877	Aryl hydrocarbon receptor	reviewed	Transcription factor	AHR	FC	'>='	2	-
P10276	BXGT007553	Retinoic acid receptor alpha	reviewed	Nuclear receptor	RARA	EC50	'='	1700	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03601	Maclura cochinchinensis	Maclura cochinchinensis	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}