acompound

Showing entry for 3-Phenylpropanoic acid

General Compound Information
BXGC Id	BXGC0004260
Compound Name	3-Phenylpropanoic acid
Structure
Formula	C9H10O2
InchiKey	XMIIGOLPHOKFCH-UHFFFAOYSA-N
SMILES	OC(=O)CCC1=CC=CC=C1
Inchi	InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
IUPAC	3-phenylpropanoic acid
Molecular Weight	150.17
Pubchem Id	107
Chembl Id	CHEMBL851

Targets of Information Source

DrugBank

DB02024

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
P00509	BXGT005562	Aspartate aminotransferase	reviewed	-	aspC	experimental	-
P95468	BXGT012154	Aromatic-amino-acid aminotransferase	reviewed	-	tyrB	experimental	-
Q75WK2	BXGT016844	Aminotransferase	unreviewed	-	-	experimental	-

PDB

HCI

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
P00509	BXGT005562	Aspartate aminotransferase	reviewed	aspC	-	-	-	120000	-
P95468	BXGT012154	Aromatic-amino-acid aminotransferase	reviewed	tyrB	-	-	-	-	-
Q59771	BXGT015265	Phenylalanine dehydrogenase	reviewed	pdh	-	-	-	-	-
P00509	BXGT005562	Aspartate aminotransferase	reviewed	aspC	-	-	-	600000	-
P00509	BXGT005562	Aspartate aminotransferase	reviewed	aspC	-	-	-	90000	-
P00509	BXGT005562	Aspartate aminotransferase	reviewed	aspC	-	-	-	410000	-
Q75WK2	BXGT016844	Aminotransferase	unreviewed		-	-	-	-	-
Q5W9R9	BXGT015899	Phenylalanine 2-monooxygenase precursor	reviewed		-	13900	-	-	-
P80025	BXGT011867	Lactoperoxidase	reviewed	LPO	-	-	-	-	-
Q46509	BXGT014646	Aldehyde oxidoreductase	reviewed	mop	-	-	-	-	-
Q3M5Z3	BXGT014489	Phenylalanine ammonia-lyase	reviewed	Ava_3988	-	-	-	-	-
Q9IAT9	BXGT020789	Basic phospholipase A2 homolog BnSP-7	reviewed		-	-	-	-	-

Binding DB

50304072

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	BXGT011178	C-terminal-binding protein 2	reviewed	Transcription factor	CTBP2	-	>300000	-	-
reviewed	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	>100000	-	-

CHEMBL

CHEMBL851

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
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'>'	100000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	3	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	4	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	5	%
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	Inhibition	-	-	-
P56545	BXGT011178	C-terminal-binding protein 2	reviewed	Transcription factor	CTBP2	IC50	'>'	300000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	5	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	4	%
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	IC50	-	-	-

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
BXGF00179	Cloves	Syzygium aromaticum	Herbs and Spices
BXGF00902	Liquidambar orientalis	Liquidambar orientalis	Medicinal Plant
BXGF01185	Aloe vera	Aloe vera	Medicinal Plant
BXGF01856	Aquilaria sinensis	Aquilaria sinensis	Medicinal Plant
BXGF01900	Aloe ferox	Aloe ferox	Medicinal Plant
BXGF01963	Hippeastrum papilio	Hippeastrum papilio	Others
BXGF02123	Viscum angulatum heyne	Viscum angulatum heyne	Others
BXGF02600	Berberis repens	Berberis repens	Others
BXGF03582	Sedum litoreum	Sedum litoreum	Others
BXGF03682	Imperata cylindrica	Imperata cylindrica	Medicinal Plant
BXGF03733	Alpinia officinarum	Alpinia officinarum	Medicinal Plant
BXGF04129	Diphasiastrum thyoides	Diphasiastrum thyoides	Others
BXGF04252	Wyethia mollis	Wyethia mollis	Medicinal Plant
BXGF04631	Aloe spicata	Aloe spicata	Medicinal Plant
BXGF04712	Prunus mume	Prunus mume	Medicinal Plant
BXGF04926	Aloe africana	Aloe africana	Medicinal Plant
BXGF05088	Teucrium asiaticum	Teucrium asiaticum	Others
BXGF05161	Euphorbia myrsinites	Euphorbia myrsinites	Garden Plant
BXGF05201	Vicia amurensis	Vicia amurensis	Medicinal Plant
BXGF05404	Millettia ferruginea	Millettia ferruginea	Human Edible Plant
BXGF05557	Thermopsis dolichocarpa	Thermopsis dolichocarpa	Others
BXGF05571	Ziziphus jujuba	Ziziphus jujuba	Medicinal Plant
BXGF05586	Limnocharis flava	Limnocharis flava	Medicinal Plant
BXGF05608	Amaranthus hypochondriacus	Amaranthus hypochondriacus	Medicinal Plant
BXGF05657	Zanthoxylum fraxineum	Zanthoxylum fraxineum	Others
BXGF05806	Helicteres angustifolia	Helicteres angustifolia	Medicinal Plant
BXGF05907	Senecio viscosus	Senecio viscosus	Others
BXGF05992	Croton laccifer	Croton laccifer	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}