acompound

Showing entry for (E)-3-(2-Hydroxyphenyl)-2-propenal

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0004342
Compound Name	(E)-3-(2-Hydroxyphenyl)-2-propenal
Structure
Formula	C9H8O2
InchiKey	BSDNZCQPDVTDET-HWKANZROSA-N
SMILES	OC1=CC=CC=C1\C=C\C=O
Inchi	InChI=1S/C9H8O2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-7,11H/b5-3+
IUPAC	(2E)-3-(2-hydroxyphenyl)prop-2-enal
Molecular Weight	148.16
Pubchem Id	5318169
Chembl Id	CHEMBL52569

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	BXGT007750	Cyclin-dependent kinase 4	reviewed	Kinase	CDK4	-	35000	-	-
reviewed	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	470000	-	-

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
P47989	BXGT010602	Xanthine dehydrogenase/oxidase	reviewed	Enzyme	XDH	IC50	'='	14	ug.mL-1
P24385	BXGT008965	G1/S-specific cyclin-D1	reviewed	Enzyme modulator	CCND1	IC50	'='	35000	nM
P11802	BXGT007750	Cyclin-dependent kinase 4	reviewed	Kinase	CDK4	IC50	'='	35000	nM
O95067	BXGT005347	G2/mitotic-specific cyclin-B2	reviewed	Enzyme modulator	CCNB2	IC50	'='	130000	nM
Q8WWL7	BXGT019000	G2/mitotic-specific cyclin-B3	reviewed	Enzyme modulator	CCNB3	IC50	'='	130000	nM
P14635	BXGT008031	G2/mitotic-specific cyclin-B1	reviewed	Enzyme modulator	CCNB1	IC50	'='	130000	nM
P06493	BXGT006445	Cyclin-dependent kinase 1	reviewed	Kinase	CDK1	IC50	'='	130000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	470000	nM
P24385	BXGT008965	G1/S-specific cyclin-D1	reviewed	Enzyme modulator	CCND1	Inhibition	'='	50	%
P11802	BXGT007750	Cyclin-dependent kinase 4	reviewed	Kinase	CDK4	Inhibition	'='	50	%
P47989	BXGT010602	Xanthine dehydrogenase/oxidase	reviewed	Enzyme	XDH	Inhibition	'='	94	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00050	Chinese cinnamon	Cinnamomum aromaticum	Herbs and Spices
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF05005	Cinnamomum cassia	Cinnamomum cassia	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}