acompound

Showing entry for (1Alpha,4Alpha,5Beta,10Beta)-4,5-Dihydroxy-7(11)-Guaien-8-One

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0015729
Compound Name	(1Alpha,4Alpha,5Beta,10Beta)-4,5-Dihydroxy-7(11)-Guaien-8-One
Structure
Formula	C15H24O3
InchiKey	TXIKNNOOLCGADE-OSRDXIQISA-N
SMILES	CC(=C1C[C@H]2[C@H]([C@@](CC1=O)(C)O)CC[C@@]2(C)O)C
Inchi	InChI=1S/C15H24O3/c1-9(2)10-7-12-11(5-6-14(12,3)17)15(4,18)8-13(10)16/h11-12,17-18H,5-8H2,1-4H3/t11-,12+,14-,15+/m1/s1
IUPAC	(3R,3aS,8S,8aR)-3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one
Molecular Weight	252.17
Pubchem Id	24834047
Chembl Id	CHEMBL2332880

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	BXGT008330	Tyrosine-protein phosphatase non-receptor type 2	reviewed		PTPN2	-	15700	-	-
reviewed	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	35100	-	-

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
P17706	BXGT008330	Tyrosine-protein phosphatase non-receptor type 2	reviewed	-	PTPN2	IC50	'='	15700	nM
P17706	BXGT008330	Tyrosine-protein phosphatase non-receptor type 2	reviewed	-	PTPN2	Inhibition	-	-	-
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'='	86	%
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	35100	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02550	Curcuma heyneana	Curcuma heyneana	Medicinal Plant
BXGF02616	Curcuma phaeocaulis	Curcuma phaeocaulis	Others
BXGF03536	Curcuma kwangsiensis	Curcuma kwangsiensis	Medicinal Plant
BXGF03970	Goniothalamus borneensis	Goniothalamus borneensis	Others
BXGF04173	Curcuma wenyujin	Curcuma wenyujin	Others
BXGF05024	Jacobaea maritima	Jacobaea maritima	Others
BXGF05816	Fraxinus quadrangulata	Fraxinus quadrangulata	Medicinal Plant
BXGF05934	Curcuma zedoaria	Curcuma zedoaria	Medicinal Plant
BXGF06181	Adiantum capillus-veneris	Adiantum capillus-veneris	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}