acompound

Showing entry for Guttiferone A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0038710
Compound Name	Guttiferone A
Structure
Formula	C38H50O6
InchiKey	QKKRBNPMUBNTPA-GHCWVHGPSA-N
SMILES	CC(=CC[C@]12C[C@H](CC=C(C)C)[C@@]([C@@](C2=O)(C(=O)C(=C1O)C(=O)c1ccc(c(c1)O)O)CC=C(C)C)(C)CCC=C(C)C)C
Inchi	InChI=1S/C38H50O6/c1-23(2)11-10-18-36(9)28(14-12-24(3)4)22-37(19-16-25(5)6)33(42)31(32(41)27-13-15-29(39)30(40)21-27)34(43)38(36,35(37)44)20-17-26(7)8/h11-13,15-17,21,28,39-40,42H,10,14,18-20,22H2,1-9H3/t28-,36+,37-,38+/m0/s1
IUPAC
Molecular Weight	602.36
Pubchem Id
Chembl Id	CHEMBL452483

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

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
Q96EB6	BXGT019646	NAD-dependent protein deacetylase sirtuin-1	reviewed	Epigenetic regulator	SIRT1	Activity	'='	158	%
Q96EB6	BXGT019646	NAD-dependent protein deacetylase sirtuin-1	reviewed	Epigenetic regulator	SIRT1	Inhibition	-	-	-
P00784	BXGT005655	Papain	reviewed	-		IC50	'='	1900	nM
Q96EB6	BXGT019646	NAD-dependent protein deacetylase sirtuin-1	reviewed	Epigenetic regulator	SIRT1	Activity	-	-	-
P00784	BXGT005655	Papain	reviewed	-		Inhibition	-	-	-
P07858	BXGT006689	Cathepsin B	reviewed	Enzyme	CTSB	IC50	'='	2100	nM
Q96EB6	BXGT019646	NAD-dependent protein deacetylase sirtuin-1	reviewed	Epigenetic regulator	SIRT1	Activity	'='	1	%
Q96EB6	BXGT019646	NAD-dependent protein deacetylase sirtuin-1	reviewed	Epigenetic regulator	SIRT1	FC	'='	2	-
P02769	BXGT005956	Serum albumin	reviewed	-	ALB	PPB	-	-	-
P08311	BXGT006762	Cathepsin G	reviewed	Enzyme	CTSG	IC50	'='	2700	nM
Q96EB6	BXGT019646	NAD-dependent protein deacetylase sirtuin-1	reviewed	Epigenetic regulator	SIRT1	Inhibition	'='	90	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05166	Pimpinella magna	Pimpinella magna	Others
BXGF05503	Garcinia livingstonei	Garcinia livingstonei	Medicinal Plant
BXGF05673	Garcinia intermedia	Garcinia intermedia	Human Edible Plant
BXGF06018	Symphonia globulifera	Symphonia globulifera	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}