acompound

Showing entry for Garcinol

General Compound Information
BXGC Id	BXGC0052769
Compound Name	Garcinol
Structure
Formula	C38H50O6
InchiKey	QDKLRKZQSOQWJQ-SMDXAGPFSA-N
SMILES	CC(=CC[C@]12C(=O)C(=C([C@@](C1=O)(C[C@@H](C(=C)C)CC=C(C)C)C[C@H](C2(C)C)CC=C(C)C)O)C(=O)c1ccc(c(c1)O)O)C
Inchi	InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,39-40,42H,7,13,15,18,20-21H2,1-6,8-10H3/t27-,28+,37+,38-/m0/s1
IUPAC
Molecular Weight	602.36
Pubchem Id
Chembl Id	CHEMBL502489

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

CHEMBL502489

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
P42224	BXGT010286	Signal transducer and activator of transcription 1-alpha/beta	reviewed	Nucleic acid binding	STAT1	Inhibition	-	-	-
Q09472	BXGT013038	Histone acetyltransferase p300	reviewed	-	EP300	Kd	'='	1800	nM
Q09472	BXGT013038	Histone acetyltransferase p300	reviewed	-	EP300	IC50	'='	6000	nM
Q09472	BXGT013038	Histone acetyltransferase p300	reviewed	-	EP300	Ki	'='	4900	nM
Q92831	BXGT019380	Histone acetyltransferase KAT2B	reviewed	-	KAT2B	Activity	'='	90	%
Q09472	BXGT013038	Histone acetyltransferase p300	reviewed	-	EP300	IC50	'='	1700	nM
Q09472	BXGT013038	Histone acetyltransferase p300	reviewed	-	EP300	Activity	-	-	-
Q6P6Q7	BXGT016457	Signal transducer and activator of transcription	unreviewed	-	Stat1	Inhibition	-	-	-
Q09472	BXGT013038	Histone acetyltransferase p300	reviewed	-	EP300	Activity	'='	78	%
Q09472	BXGT013038	Histone acetyltransferase p300	reviewed	-	EP300	Kd	'='	6600	nM
Q92831	BXGT019380	Histone acetyltransferase KAT2B	reviewed	-	KAT2B	Activity	'='	80	%
Q92831	BXGT019380	Histone acetyltransferase KAT2B	reviewed	-	KAT2B	IC50	'='	5000	nM
Q92831	BXGT019380	Histone acetyltransferase KAT2B	reviewed	-	KAT2B	IC50	'='	6000	nM
Q09472	BXGT013038	Histone acetyltransferase p300	reviewed	-	EP300	IC50	'='	7000	nM
Q07794	BXGT012937	Histone acetyltransferase RTT109	reviewed	-	RTT109	IC50	'='	3500	nM
Q03330	BXGT012707	Histone acetyltransferase GCN5	reviewed	-	GCN5	IC50	'='	2600	nM
P42224	BXGT010286	Signal transducer and activator of transcription 1-alpha/beta	reviewed	Nucleic acid binding	STAT1	Kd	'='	16900	nM
Q07794	BXGT012937	Histone acetyltransferase RTT109	reviewed	-	RTT109	Activity	-	-	-
Q07794	BXGT012937	Histone acetyltransferase RTT109	reviewed	-	RTT109	IC50	'='	13000	nM
Q03330	BXGT012707	Histone acetyltransferase GCN5	reviewed	-	GCN5	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01149	Garcinia oblongifolia	Garcinia oblongifolia	Human Edible Plant
BXGF01175	Neomeris annulata	Neomeris annulata	Others
BXGF04213	Trifolium resupinatum	Trifolium resupinatum	Agricultural Plant
BXGF04334	Carapichea ipecacuanha	Carapichea ipecacuanha	Medicinal Plant
BXGF05434	Zanthoxylum decaryi	Zanthoxylum decaryi	Medicinal Plant
BXGF05669	Marrubium velutinum	Marrubium velutinum	Medicinal Plant
BXGF05715	Cistanche salsa	Cistanche salsa	Medicinal Plant
BXGF06189	Piper wightii	Piper wightii	Others

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}