acompound

Showing entry for Gardenin

General Compound Information
BXGC Id	BXGC0033365
Compound Name	Gardenin
Structure
Formula	C21H22O9
InchiKey	MQBFFYQCZCKSBX-UHFFFAOYSA-N
SMILES	COc1c(OC)cc(cc1OC)c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)OC
Inchi	InChI=1S/C21H22O9/c1-24-13-7-10(8-14(25-2)17(13)26-3)12-9-11(22)15-16(23)19(27-4)21(29-6)20(28-5)18(15)30-12/h7-9,23H,1-6H3
IUPAC	5-hydroxy-6,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Molecular Weight	418.13
Pubchem Id	261859
Chembl Id	CHEMBL77705

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

153263

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	BXGT019667	Aurora kinase B	reviewed	Kinase	AURKB	-	42700	-	-

CHEMBL

CHEMBL77705

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	-	4109	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	11220	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	3162	nM
Q9BUF5	BXGT020135	Tubulin beta-6 chain	reviewed	Cellular structure	TUBB6	Inhibition	'='	0	%
Q9BVA1	BXGT020142	Tubulin beta-2B chain	reviewed	-	TUBB2B	Inhibition	'='	0	%
Q13885	BXGT013400	Tubulin beta-2A chain	reviewed	Cellular structure	TUBB2A	Inhibition	'='	0	%
Q6PEY2	BXGT016465	Tubulin alpha-3E chain	reviewed	Cellular structure	TUBA3E	Inhibition	'='	0	%
Q9BQE3	BXGT020109	Tubulin alpha-1C chain	reviewed	Cellular structure	TUBA1C	Inhibition	'='	0	%
P68363	BXGT011594	Tubulin alpha-1B chain	reviewed	Cellular structure	TUBA1B	Inhibition	'='	0	%
P07437	BXGT006624	Tubulin beta chain	reviewed	Cellular structure	TUBB	Inhibition	'='	0	%
Q3ZCM7	BXGT014551	Tubulin beta-8 chain	reviewed	-	TUBB8	Inhibition	'='	0	%
P04350	BXGT006193	Tubulin beta-4A chain	reviewed	Cellular structure	TUBB4A	Inhibition	'='	0	%
Q71U36	BXGT016705	Tubulin alpha-1A chain	reviewed	Cellular structure	TUBA1A	Inhibition	'='	0	%
Q13509	BXGT013366	Tubulin beta-3 chain	reviewed	Cellular structure	TUBB3	Inhibition	'='	0	%
P68366	BXGT011595	Tubulin alpha-4A chain	reviewed	Cellular structure	TUBA4A	Inhibition	'='	0	%
P0DPH7	BXGT007527	Tubulin alpha-3C chain	reviewed	-	TUBA3C	Inhibition	'='	0	%
Q9H4B7	BXGT020475	Tubulin beta-1 chain	reviewed	Cellular structure	TUBB1	Inhibition	'='	0	%
P68371	BXGT011597	Tubulin beta-4B chain	reviewed	Cellular structure	TUBB4B	Inhibition	'='	0	%
P37840	BXGT010015	Alpha-synuclein	reviewed	Transporter	SNCA	Potency	-	25118	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	20596	nM
P63092	BXGT011495	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	reviewed	-	GNAS	Potency	-	1778	nM
Q9BUF5	BXGT020135	Tubulin beta-6 chain	reviewed	Cellular structure	TUBB6	IC50	'>'	40000	nM
Q9BVA1	BXGT020142	Tubulin beta-2B chain	reviewed	-	TUBB2B	IC50	'>'	40000	nM
Q13885	BXGT013400	Tubulin beta-2A chain	reviewed	Cellular structure	TUBB2A	IC50	'>'	40000	nM
Q6PEY2	BXGT016465	Tubulin alpha-3E chain	reviewed	Cellular structure	TUBA3E	IC50	'>'	40000	nM
Q9BQE3	BXGT020109	Tubulin alpha-1C chain	reviewed	Cellular structure	TUBA1C	IC50	'>'	40000	nM
P68363	BXGT011594	Tubulin alpha-1B chain	reviewed	Cellular structure	TUBA1B	IC50	'>'	40000	nM
P07437	BXGT006624	Tubulin beta chain	reviewed	Cellular structure	TUBB	IC50	'>'	40000	nM
Q3ZCM7	BXGT014551	Tubulin beta-8 chain	reviewed	-	TUBB8	IC50	'>'	40000	nM
P04350	BXGT006193	Tubulin beta-4A chain	reviewed	Cellular structure	TUBB4A	IC50	'>'	40000	nM
Q71U36	BXGT016705	Tubulin alpha-1A chain	reviewed	Cellular structure	TUBA1A	IC50	'>'	40000	nM
Q13509	BXGT013366	Tubulin beta-3 chain	reviewed	Cellular structure	TUBB3	IC50	'>'	40000	nM
P68366	BXGT011595	Tubulin alpha-4A chain	reviewed	Cellular structure	TUBA4A	IC50	'>'	40000	nM
P0DPH7	BXGT007527	Tubulin alpha-3C chain	reviewed	-	TUBA3C	IC50	'>'	40000	nM
Q9H4B7	BXGT020475	Tubulin beta-1 chain	reviewed	Cellular structure	TUBB1	IC50	'>'	40000	nM
P68371	BXGT011597	Tubulin beta-4B chain	reviewed	Cellular structure	TUBB4B	IC50	'>'	40000	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	7307	nM
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	4107	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01662	Rhamnus japonica	Rhamnus japonica	Medicinal Plant
BXGF03615	Polygala glomerata	Polygala glomerata	Medicinal Plant
BXGF03799	Salvia mirzayanii	Salvia mirzayanii	Others
BXGF06238	Gardenia jasminoides	Gardenia jasminoides	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}