acompound

Showing entry for Gerontoxanthone A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0038638
Compound Name	Gerontoxanthone A
Structure
Formula	C23H22O6
InchiKey	YNHZDINWEJCMRF-UHFFFAOYSA-N
SMILES	Oc1c2OC(C)(C)C=Cc2cc2c1oc1cc3OC(C(c3c(c1c2=O)O)(C)C)C
Inchi	InChI=1S/C23H22O6/c1-10-23(4,5)16-14(27-10)9-13-15(18(16)25)17(24)12-8-11-6-7-22(2,3)29-20(11)19(26)21(12)28-13/h6-10,25-26H,1-5H3
IUPAC
Molecular Weight	394.14
Pubchem Id	11948658
Chembl Id	CHEMBL517514

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	BXGT021407	Ubiquitin carboxyl-terminal hydrolase isozyme L1	reviewed		Uchl1	-	4100	-	-
reviewed	BXGT007576	Streptokinase A	reviewed		ska	-	-	-	10715
reviewed	BXGT007553	Retinoic acid receptor alpha	reviewed	Nuclear receptor	RARA	-	-	-	170
reviewed	BXGT007553	Retinoic acid receptor alpha	reviewed	Nuclear receptor	RARA	-	-	-	200

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	-	20596	nM
Q9Y253	BXGT022216	DNA polymerase eta	reviewed	-	POLH	Potency	-	50118	nM
P10276	BXGT007553	Retinoic acid receptor alpha	reviewed	Nuclear receptor	RARA	Activity	-	-	-
P38398	BXGT010037	Breast cancer type 1 susceptibility protein	reviewed	Enzyme	BRCA1	Potency	-	6309	nM
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	39810	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	35481	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	23	nM
P10520	BXGT007576	Streptokinase A	reviewed	-	ska	EC50	'='	2484	nM
P10520	BXGT007576	Streptokinase A	reviewed	-	ska	EC50	'='	10715	nM
P17405	BXGT008304	Sphingomyelin phosphodiesterase	reviewed	Enzyme	SMPD1	Potency	-	398107	nM
P10276	BXGT007553	Retinoic acid receptor alpha	reviewed	Nuclear receptor	RARA	EC50	'='	170	nM
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	6309	nM
P10276	BXGT007553	Retinoic acid receptor alpha	reviewed	Nuclear receptor	RARA	EC50	'='	200	nM
P35869	BXGT009877	Aryl hydrocarbon receptor	reviewed	Transcription factor	AHR	FC	'>='	2	-

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}