acompound

Showing entry for 3-Methylbutanal

General Compound Information
BXGC Id	BXGC0002432
Compound Name	3-Methylbutanal
Structure
Formula	C5H10O
InchiKey	YGHRJJRRZDOVPD-UHFFFAOYSA-N
SMILES	CC(C)CC=O
Inchi	InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3
IUPAC	3-methylbutanal
Molecular Weight	86.13
Pubchem Id	11552
Chembl Id	CHEMBL18360

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

50028832

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	BXGT007632	Phenylethanolamine N-methyltransferase	reviewed		PNMT	-	1000000	-	-

CHEMBL

CHEMBL18360

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
P10938	BXGT007632	Phenylethanolamine N-methyltransferase	reviewed	-	PNMT	IC50	'='	1000000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00033	Kohlrabi	Brassica oleracea var. gongylodes	Vegetables
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00063	Saffron	Crocus sativus	Herbs and Spices
BXGF00070	Lemon grass	Cymbopogon citratus	Herbs and Spices
BXGF00074	Cardamom	Elettaria cardamomum	Herbs and Spices
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00097	Sweet bay	Laurus nobilis	Herbs and Spices
BXGF00105	Apple	Malus pumila	Fruits
BXGF00111	Cornmint	Mentha arvensis	Herbs and Spices
BXGF00112	Spearmint	Mentha spicata	Herbs and Spices
BXGF00113	Peppermint	Mentha X piperita	Herbs and Spices
BXGF00119	Sweet basil	Ocimum basilicum	Herbs and Spices
BXGF00173	Garden tomato (var.)	Solanum lycopersicum var. lycopersicum	Vegetables
BXGF00175	Potato	Solanum tuberosum	Vegetables
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00206	Ginger	Zingiber officinale	Herbs and Spices
BXGF00265	Allspice	Pimenta dioica	Herbs and Spices
BXGF00303	Chia	Salvia hispanica	Herbs and Spices
BXGF00393	Pepper (C. frutescens)	Capsicum annuum var. annuum	Vegetables
BXGF00806	Alcoholic beverages		Beverages
BXGF00808	Pomes		Fruits
BXGF00810	Cereals and cereal products		Cereals and cereal products
BXGF00811	Citrus		Fruits
BXGF00816	Fats and oils		Fats and oils
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00820	Mollusks		Aquatic foods
BXGF00823	Fruits		Fruits
BXGF00829	Green bell pepper	Capsicum annuum	Vegetables
BXGF00830	Yellow bell pepper	Capsicum annuum	Vegetables
BXGF00831	Orange bell pepper	Capsicum annuum	Vegetables
BXGF00832	Red bell pepper	Capsicum annuum	Vegetables
BXGF00998	Syncarpia hillii	Syncarpia hillii	Others
BXGF01132	Gossypium herbaceum	Gossypium herbaceum	Medicinal Plant
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF01185	Aloe vera	Aloe vera	Medicinal Plant
BXGF01255	Lemaireocereus griseus	Lemaireocereus griseus	Human Edible Plant
BXGF01455	Diospyros eriantha	Diospyros eriantha	Others
BXGF01491	Alkanna cappadocica	Alkanna cappadocica	Medicinal Plant
BXGF01524	Artemisia dentata	Artemisia dentata	Others
BXGF01633	Scorzonera pseudodivaricata	Scorzonera pseudodivaricata	Others
BXGF01649	Rapanea lancifolia	Rapanea lancifolia	Others
BXGF01670	Ononis vaginalis	Ononis vaginalis	Others
BXGF01721	Humulus lupulus	Humulus lupulus	Medicinal Plant
BXGF01900	Aloe ferox	Aloe ferox	Medicinal Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02488	Uvaria chamae	Uvaria chamae	Medicinal Plant
BXGF02526	Santalum album	Santalum album	Medicinal Plant
BXGF02567	Lycium chinense	Lycium chinense	Medicinal Plant
BXGF02612	Mosla chinensis	Mosla chinensis	Medicinal Plant
BXGF02663	Atalantia racemosa	Atalantia racemosa	Medicinal Plant
BXGF02792	Ligusticum sinense	Ligusticum sinense	Medicinal Plant
BXGF03243	Elsholtzia ciliata	Elsholtzia ciliata	Medicinal Plant
BXGF03342	Buddleja cordata	Buddleja cordata	Others
BXGF03610	Bistorta officinalis	Bistorta officinalis	Medicinal Plant
BXGF03645	Lycium barbarum	Lycium barbarum	Medicinal Plant
BXGF03747	Millettia erythrocalyx	Millettia erythrocalyx	Medicinal Plant
BXGF03814	Juniperus rigida var. conferta	Juniperus rigida var. conferta	Medicinal Plant
BXGF03978	Hoffmannia strigillosa	Hoffmannia strigillosa	Others
BXGF04224	Bistorta manshuriensis	Bistorta manshuriensis	Others
BXGF04605	Senna alexandrina	Senna alexandrina	Medicinal Plant
BXGF04631	Aloe spicata	Aloe spicata	Medicinal Plant
BXGF04712	Prunus mume	Prunus mume	Medicinal Plant
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF04926	Aloe africana	Aloe africana	Medicinal Plant
BXGF05462	Campsis flos	Campsis flos	Others
BXGF05560	Crambe tatarica	Crambe tatarica	Medicinal Plant
BXGF05964	Citrullus lanatus subsp. vulgaris	Citrullus lanatus subsp. vulgaris	0
BXGF06116	Pteris semipinnata	Pteris semipinnata	Others
BXGF06193	Fritillaria ningguoensis	Fritillaria ningguoensis	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}