acompound

Showing entry for Artepillin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0032375
Compound Name	Artepillin
Structure
Formula	C19H24O3
InchiKey	KABCFARPAMSXCC-JXMROGBWSA-N
SMILES	CC(=CCc1cc(/C=C/C(=O)O)cc(c1O)CC=C(C)C)C
Inchi	InChI=1S/C19H24O3/c1-13(2)5-8-16-11-15(7-10-18(20)21)12-17(19(16)22)9-6-14(3)4/h5-7,10-12,22H,8-9H2,1-4H3,(H,20,21)/b10-7+
IUPAC	(E)-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
Molecular Weight	300.17
Pubchem Id	5472440
Chembl Id	CHEMBL456309

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	BXGT004858	Aldo-keto reductase family 1 member B10	reviewed	Enzyme	AKR1B10	-	53000	-	-
reviewed	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	-	23000	-	-
reviewed	BXGT010301	Aldo-keto reductase family 1 member C3	reviewed	Enzyme	AKR1C3	-	1000	-	-
reviewed	BXGT010301	Aldo-keto reductase family 1 member C3	reviewed	Enzyme	AKR1C3	680	-	-	-

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
P15121	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	IC50	'='	23000	nM
P42330	BXGT010301	Aldo-keto reductase family 1 member C3	reviewed	Enzyme	AKR1C3	Ki	'='	680	nM
P17516	BXGT008313	Aldo-keto reductase family 1 member C4	reviewed	Enzyme	AKR1C4	Inhibition	'='	19	%
O60218	BXGT004858	Aldo-keto reductase family 1 member B10	reviewed	Enzyme	AKR1B10	IC50	'='	53000	nM
P42330	BXGT010301	Aldo-keto reductase family 1 member C3	reviewed	Enzyme	AKR1C3	IC50	'='	1000	nM
Q04828	BXGT012787	Aldo-keto reductase family 1 member C1	reviewed	Enzyme	AKR1C1	Inhibition	'='	29	%
P52895	BXGT010961	Aldo-keto reductase family 1 member C2	reviewed	Enzyme	AKR1C2	Inhibition	'='	13	%
Q13153	BXGT013319	Serine/threonine-protein kinase PAK 1	reviewed	Kinase	PAK1	IC50	'='	25000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01065	Artemisia capillaris	Artemisia capillaris	Medicinal Plant
BXGF01104	Garcinia cambogia	Garcinia cambogia	Medicinal Plant
BXGF01252	Petasites laevigatus	Petasites laevigatus	Medicinal Plant
BXGF01404	Sphaeranthus confertifolius	Sphaeranthus confertifolius	Others
BXGF01556	Ornithoglossum viride	Ornithoglossum viride	Others
BXGF01606	Schizanthus tricolor	Schizanthus tricolor	Others
BXGF01631	Anodendron affine	Anodendron affine	Medicinal Plant
BXGF01669	Hertia cheirifolia	Hertia cheirifolia	Others
BXGF01720	Cedrela salvadorensis	Cedrela salvadorensis	Others
BXGF02852	Sophora flavescens	Sophora flavescens	Medicinal Plant
BXGF05011	Artemisia capillaries	Artemisia capillaries	Others
BXGF05436	Rubia tetragona	Rubia tetragona	Others
BXGF05858	Ormosia hosiei	Ormosia hosiei	Medicinal Plant
BXGF06250	Licaria chrysophylla	Licaria chrysophylla	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}