acompound

Showing entry for Heptanal

General Compound Information
BXGC Id	BXGC0004144
Compound Name	Heptanal
Structure
Formula	C7H14O
InchiKey	FXHGMKSSBGDXIY-UHFFFAOYSA-N
SMILES	CCCCCCC=O
Inchi	InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
IUPAC	heptanal
Molecular Weight	114.19
Pubchem Id	8130
Chembl Id	CHEMBL18104

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

50028829

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	-	109000	-	-

CHEMBL

CHEMBL18104

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
O00519	BXGT003934	Fatty-acid amide hydrolase 1	reviewed	-	FAAH	Inhibition	'='	-14	%
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	7943	nM
P10938	BXGT007632	Phenylethanolamine N-methyltransferase	reviewed	-	PNMT	IC50	'='	109000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00015	Wild celery	Apium graveolens	Herbs and Spices
BXGF00017	Burdock	Arctium lappa	Vegetables
BXGF00022	Oat	Avena sativa	Cereals and cereal products
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00041	Papaya	Carica papaya	Fruits
BXGF00054	Lemon	Citrus limon	Fruits
BXGF00057	Sweet orange	Citrus sinensis	Fruits
BXGF00061	Coriander	Coriandrum sativum	Herbs and Spices
BXGF00063	Saffron	Crocus sativus	Herbs and Spices
BXGF00072	Wild carrot	Daucus carota	Vegetables
BXGF00081	Fig	Ficus carica	Fruits
BXGF00087	Sea-buckthornberry	Hippophae rhamnoides	Fruits
BXGF00100	Lovage	Levisticum officinale	Herbs and Spices
BXGF00112	Spearmint	Mentha spicata	Herbs and Spices
BXGF00150	Guava	Psidium guajava	Fruits
BXGF00159	Rosemary	Rosmarinus officinalis	Herbs and Spices
BXGF00166	Black elderberry	Sambucus nigra	Fruits
BXGF00170	Sesame	Sesamum orientale	Herbs and Spices
BXGF00187	Common wheat	Triticum aestivum	Cereals and cereal products
BXGF00194	Lingonberry	Vaccinium vitis-idaea	Fruits
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00230	Carrot	Daucus carota ssp. sativus	Vegetables
BXGF00265	Allspice	Pimenta dioica	Herbs and Spices
BXGF00410	Roselle	Hibiscus sabdariffa	Herbs and Spices
BXGF00811	Citrus		Fruits
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00946	Artemisia montana	Artemisia montana	Medicinal Plant
BXGF01081	Akebia trifoliata	Akebia trifoliata	Medicinal Plant
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF01185	Aloe vera	Aloe vera	Medicinal Plant
BXGF01721	Humulus lupulus	Humulus lupulus	Medicinal Plant
BXGF01823	Houttuynia cordata	Houttuynia cordata	Medicinal Plant
BXGF01878	Lobelia chinensis	Lobelia chinensis	Medicinal Plant
BXGF01900	Aloe ferox	Aloe ferox	Medicinal Plant
BXGF01911	Bupleurum scorzonerifolium	Bupleurum scorzonerifolium	Medicinal Plant
BXGF01973	Lonicera japonica	Lonicera japonica	Medicinal Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02052	Oldenlandia diffusa	Oldenlandia diffusa	Medicinal Plant
BXGF02131	Glycyrrhiza	Glycyrrhiza	Medicinal Plant
BXGF02167	Scutellaria barbata	Scutellaria barbata	Medicinal Plant
BXGF02567	Lycium chinense	Lycium chinense	Medicinal Plant
BXGF02792	Ligusticum sinense	Ligusticum sinense	Medicinal Plant
BXGF02815	Pinellia ternata	Pinellia ternata	Medicinal Plant
BXGF02927	Akebia quinata	Akebia quinata	Medicinal Plant
BXGF03130	Panax quinquefolius	Panax quinquefolius	Medicinal Plant
BXGF03164	Patrinia scabiosifolia	Patrinia scabiosifolia	Medicinal Plant
BXGF03348	Panax notoginseng	Panax notoginseng	Medicinal Plant
BXGF03479	Bombax ceiba	Bombax ceiba	Medicinal Plant
BXGF03610	Bistorta officinalis	Bistorta officinalis	Medicinal Plant
BXGF03645	Lycium barbarum	Lycium barbarum	Medicinal Plant
BXGF03735	Hansenia weberbaueriana	Hansenia weberbaueriana	Others
BXGF03865	Hansenia forbesii	Hansenia forbesii	Others
BXGF03953	Artemisia princeps	Artemisia princeps	Medicinal Plant
BXGF04087	Erysimum odoratum	Erysimum odoratum	Others
BXGF04092	Heterotheca inuloides	Heterotheca inuloides	Medicinal Plant
BXGF04098	Delphinium andersoni	Delphinium andersoni	Others
BXGF04126	Vismia jefensis	Vismia jefensis	Others
BXGF04142	Angelica tarokoensis	Angelica tarokoensis	Others
BXGF04147	Swertia delavayi	Swertia delavayi	Others
BXGF04165	Epimedium davidii	Epimedium davidii	Medicinal Plant
BXGF04168	Globba malaccensis	Globba malaccensis	Medicinal Plant
BXGF04175	Diphasia angolensis	Diphasia angolensis	Others
BXGF04182	Knightia excelsa	Knightia excelsa	Medicinal Plant
BXGF04199	Isodon japonicus	Isodon japonicus	Medicinal Plant
BXGF04207	Solanum acaule	Solanum acaule	Others
BXGF04216	Frullania tamarisci	Frullania tamarisci	Others
BXGF04221	Alangium premnifolium	Alangium premnifolium	Others
BXGF04224	Bistorta manshuriensis	Bistorta manshuriensis	Others
BXGF04233	Saussurea carthamoides	Saussurea carthamoides	Others
BXGF04238	Capsella bursa-pastoris	Capsella bursa-pastoris	Medicinal Plant
BXGF04250	Galenia africana	Galenia africana	Medicinal Plant
BXGF04264	Micromeria pineolens	Micromeria pineolens	Others
BXGF04269	Gnidia lamprantha	Gnidia lamprantha	Medicinal Plant
BXGF04276	Ilex amara	Ilex amara	Others
BXGF04295	Leonurus glaucescens	Leonurus glaucescens	Medicinal Plant
BXGF04342	Salacia madagascariensis	Salacia madagascariensis	Human Edible Plant
BXGF04343	Maba buxifolia	Maba buxifolia	Medicinal Plant
BXGF04361	Cynomorium songaricum	Cynomorium songaricum	Medicinal Plant
BXGF04605	Senna alexandrina	Senna alexandrina	Medicinal Plant
BXGF04611	Artemisia argyi	Artemisia argyi	Medicinal Plant
BXGF04631	Aloe spicata	Aloe spicata	Medicinal Plant
BXGF04777	Quercus sessiliflora	Quercus sessiliflora	Others
BXGF04820	Panax ginseng	Panax ginseng	0
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF04875	Bupleurum chinense	Bupleurum chinense	Medicinal Plant
BXGF04900	Ostericum grosseserratum	Ostericum grosseserratum	Human Edible Plant
BXGF04909	Hippophae fructus	Hippophae fructus	Others
BXGF04926	Aloe africana	Aloe africana	Medicinal Plant
BXGF04981	Bupleurum falcatum	Bupleurum falcatum	Medicinal Plant
BXGF04982	Ligusticum chuanxiong	Ligusticum chuanxiong	Medicinal Plant
BXGF05462	Campsis flos	Campsis flos	Others
BXGF05480	Lepidium draba	Lepidium draba	Medicinal Plant
BXGF05964	Citrullus lanatus subsp. vulgaris	Citrullus lanatus subsp. vulgaris	0
BXGF06026	Magnolia officinalis rehd et wils	Magnolia officinalis rehd et wils	Others
BXGF06107	Glehnia littoralis	Glehnia littoralis	Medicinal Plant
BXGF06148	Patrinia villosa	Patrinia villosa	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}