acompound

Showing entry for Drupanin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0040667
Compound Name	Drupanin
Structure
Formula	C14H16O3
InchiKey	HZKNHDLUFBYIQN-VMPITWQZSA-N
SMILES	CC(=CCc1cc(/C=C/C(=O)O)ccc1O)C
Inchi	InChI=1S/C14H16O3/c1-10(2)3-6-12-9-11(4-7-13(12)15)5-8-14(16)17/h3-5,7-9,15H,6H2,1-2H3,(H,16,17)/b8-5+
IUPAC	(E)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
Molecular Weight	232.11
Pubchem Id	6440361
Chembl Id	CHEMBL464997

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	-	49000	-	-
reviewed	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	-	38000	-	-
reviewed	BXGT010961	Aldo-keto reductase family 1 member C2	reviewed	Enzyme	AKR1C2	-	108000	-	-
reviewed	BXGT010301	Aldo-keto reductase family 1 member C3	reviewed	Enzyme	AKR1C3	-	15000	-	-

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
P17516	BXGT008313	Aldo-keto reductase family 1 member C4	reviewed	Enzyme	AKR1C4	Inhibition	'='	0	%
P42330	BXGT010301	Aldo-keto reductase family 1 member C3	reviewed	Enzyme	AKR1C3	Inhibition	'='	14	%
Q04828	BXGT012787	Aldo-keto reductase family 1 member C1	reviewed	Enzyme	AKR1C1	Inhibition	'='	30	%
Q99814	BXGT019965	Endothelial PAS domain-containing protein 1	reviewed	Transcription factor	EPAS1	Inhibition	-	-	-
Q16665	BXGT013653	Hypoxia-inducible factor 1-alpha	reviewed	Transcription factor	HIF1A	Inhibition	-	-	-
P52895	BXGT010961	Aldo-keto reductase family 1 member C2	reviewed	Enzyme	AKR1C2	IC50	'='	108000	nM
O60218	BXGT004858	Aldo-keto reductase family 1 member B10	reviewed	Enzyme	AKR1B10	IC50	'='	49000	nM
P15121	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	IC50	'='	38000	nM
P42330	BXGT010301	Aldo-keto reductase family 1 member C3	reviewed	Enzyme	AKR1C3	IC50	'='	15000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01087	Impatiens balsamina	Impatiens balsamina	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
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}