acompound

Showing entry for Octanal

General Compound Information
BXGC Id	BXGC0002470
Compound Name	Octanal
Structure
Formula	C8H16O
InchiKey	NUJGJRNETVAIRJ-UHFFFAOYSA-N
SMILES	CCCCCCCC=O
Inchi	InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
IUPAC	octanal
Molecular Weight	128.21
Pubchem Id	454
Chembl Id	CHEMBL18407

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

OYA

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
Q5SLQ3	BXGT015816	Octanoyltransferase	reviewed	lipB	-	-	-	-	-
Q9I0Y7	BXGT020695	Multidrug efflux outer membrane protein OprN	unreviewed	oprN	-	-	-	-	-
Q88N39	BXGT025201	3-oxoadipyl-CoA thiolase	unreviewed	pcaF-I	-	-	-	-	-
Q87YZ5	BXGT025948	Aldehyde dehydrogenase family protein	unreviewed	PSPTO_3644	-	-	-	-	-

Binding DB

50028817

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	-	216000	-	-

CHEMBL

CHEMBL18407

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	'='	216000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00013	Dill	Anethum graveolens	Herbs and Spices
BXGF00015	Wild celery	Apium graveolens	Herbs and Spices
BXGF00022	Oat	Avena sativa	Cereals and cereal products
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00041	Papaya	Carica papaya	Fruits
BXGF00043	Caraway	Carum carvi	Herbs and Spices
BXGF00051	Ceylon cinnamon	Cinnamomum verum	Herbs and Spices
BXGF00052	Watermelon	Citrullus lanatus	Gourds
BXGF00053	Lime	Citrus aurantiifolia	Fruits
BXGF00054	Lemon	Citrus limon	Fruits
BXGF00055	Pummelo	Citrus maxima	Fruits
BXGF00056	Mandarin orange (Clementine, Tangerine)	Citrus reticulata	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
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00087	Sea-buckthornberry	Hippophae rhamnoides	Fruits
BXGF00100	Lovage	Levisticum officinale	Herbs and Spices
BXGF00111	Cornmint	Mentha arvensis	Herbs and Spices
BXGF00112	Spearmint	Mentha spicata	Herbs and Spices
BXGF00121	Olive	Olea europaea	Vegetables
BXGF00150	Guava	Psidium guajava	Fruits
BXGF00165	Common sage	Salvia officinalis	Herbs and Spices
BXGF00166	Black elderberry	Sambucus nigra	Fruits
BXGF00170	Sesame	Sesamum orientale	Herbs and Spices
BXGF00173	Garden tomato (var.)	Solanum lycopersicum var. lycopersicum	Vegetables
BXGF00175	Potato	Solanum tuberosum	Vegetables
BXGF00194	Lingonberry	Vaccinium vitis-idaea	Fruits
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00206	Ginger	Zingiber officinale	Herbs and Spices
BXGF00230	Carrot	Daucus carota ssp. sativus	Vegetables
BXGF00410	Roselle	Hibiscus sabdariffa	Herbs and Spices
BXGF00811	Citrus		Fruits
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00871	Citrus unshiu	Citrus unshiu	Medicinal Plant
BXGF00946	Artemisia montana	Artemisia montana	Medicinal Plant
BXGF00956	Passiflora incarnata	Passiflora incarnata	Medicinal Plant
BXGF01081	Akebia trifoliata	Akebia trifoliata	Medicinal Plant
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF01157	Alstonia muelleriana	Alstonia muelleriana	Others
BXGF01185	Aloe vera	Aloe vera	Medicinal Plant
BXGF01205	Dacrydium cupressinum	Dacrydium cupressinum	Medicinal Plant
BXGF01448	Trigonella grandiflora	Trigonella grandiflora	Others
BXGF01554	Nicotiana undulata	Nicotiana undulata	Others
BXGF01716	Mentha canadensis	Mentha canadensis	Medicinal Plant
BXGF01821	Artemisia cina	Artemisia cina	Medicinal Plant
BXGF01823	Houttuynia cordata	Houttuynia cordata	Medicinal Plant
BXGF01900	Aloe ferox	Aloe ferox	Medicinal Plant
BXGF01911	Bupleurum scorzonerifolium	Bupleurum scorzonerifolium	Medicinal Plant
BXGF01966	Chromolaena odorata	Chromolaena odorata	Medicinal Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02052	Oldenlandia diffusa	Oldenlandia diffusa	Medicinal Plant
BXGF02106	Citrus medica	Citrus medica	Medicinal Plant
BXGF02567	Lycium chinense	Lycium chinense	Medicinal Plant
BXGF02592	Ilex affinis	Ilex affinis	Human Edible Plant
BXGF02612	Mosla chinensis	Mosla chinensis	Medicinal Plant
BXGF02667	Anaxagorea clavata	Anaxagorea clavata	Others
BXGF02757	Tripolium pannonicum	Tripolium pannonicum	Others
BXGF02925	Coreopsis nodosa	Coreopsis nodosa	Others
BXGF02927	Akebia quinata	Akebia quinata	Medicinal Plant
BXGF03130	Panax quinquefolius	Panax quinquefolius	Medicinal Plant
BXGF03144	Stenostomum lucidum	Stenostomum lucidum	Others
BXGF03147	Beyeria brevifolia	Beyeria brevifolia	Others
BXGF03164	Patrinia scabiosifolia	Patrinia scabiosifolia	Medicinal Plant
BXGF03180	Uvaria calamistrata	Uvaria calamistrata	Medicinal Plant
BXGF03243	Elsholtzia ciliata	Elsholtzia ciliata	Medicinal Plant
BXGF03327	Citrus trifoliata	Citrus trifoliata	Human Edible Plant
BXGF03348	Panax notoginseng	Panax notoginseng	Medicinal Plant
BXGF03421	Kaempferia pulchra	Kaempferia pulchra	Medicinal Plant
BXGF03479	Bombax ceiba	Bombax ceiba	Medicinal Plant
BXGF03508	Haematococcus lacustris	Haematococcus lacustris	Others
BXGF03534	Drosera peltata	Drosera peltata	Medicinal Plant
BXGF03610	Bistorta officinalis	Bistorta officinalis	Medicinal Plant
BXGF03645	Lycium barbarum	Lycium barbarum	Medicinal Plant
BXGF03712	Arnica nevadensis	Arnica nevadensis	Others
BXGF03735	Hansenia weberbaueriana	Hansenia weberbaueriana	Others
BXGF03745	Odixia angusta	Odixia angusta	Others
BXGF03760	Prunus laurocerasus	Prunus laurocerasus	Medicinal Plant
BXGF03812	Ficus formosana	Ficus formosana	Human Edible Plant
BXGF03843	Dipterocarpus alatus	Dipterocarpus alatus	Medicinal Plant
BXGF03864	Echinops amplexicaulis	Echinops amplexicaulis	Medicinal Plant
BXGF03865	Hansenia forbesii	Hansenia forbesii	Others
BXGF03873	Quercus aegilops	Quercus aegilops	Medicinal Plant
BXGF03883	Chloranthus tianmushanensis	Chloranthus tianmushanensis	Others
BXGF03897	Prosopis glandulosa	Prosopis glandulosa	Human Edible Plant
BXGF03916	Aria pallescens	Aria pallescens	Others
BXGF03926	Simira eliezeriana	Simira eliezeriana	Others
BXGF03939	Senecio squalidus	Senecio squalidus	Medicinal Plant
BXGF03951	Araujia sericifera	Araujia sericifera	Medicinal Plant
BXGF03953	Artemisia princeps	Artemisia princeps	Medicinal Plant
BXGF03966	Artemisia monogyna	Artemisia monogyna	Others
BXGF03986	Epaltes gariepina	Epaltes gariepina	Others
BXGF03991	Seriphidium cinum	Seriphidium cinum	Medicinal Plant
BXGF04002	Dendrosenecio kilimanjari	Dendrosenecio kilimanjari	Others
BXGF04009	Isodon kameba	Isodon kameba	Medicinal Plant
BXGF04016	Pterocarpus grandiflorus	Pterocarpus grandiflorus	Others
BXGF04030	Chromolaena pulchella	Chromolaena pulchella	Others
BXGF04041	Bursaria spinosa	Bursaria spinosa	Human Edible Plant
BXGF04054	Taxodium mucronatum	Taxodium mucronatum	Medicinal Plant
BXGF04066	Gardenia fosbergii	Gardenia fosbergii	Others
BXGF04073	Vitex madiensis	Vitex madiensis	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
BXGF04144	Agnorhiza bolanderi	Agnorhiza bolanderi	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
BXGF04605	Senna alexandrina	Senna alexandrina	Medicinal Plant
BXGF04611	Artemisia argyi	Artemisia argyi	Medicinal Plant
BXGF04631	Aloe spicata	Aloe spicata	Medicinal Plant
BXGF04708	Sesbania punicea	Sesbania punicea	Others
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
BXGF05000	Citrus reticulate	Citrus reticulate	Others
BXGF05121	Eleutherococcus giraldii	Eleutherococcus giraldii	Others
BXGF05140	Amomum neoaurantiacum	Amomum neoaurantiacum	Others
BXGF05413	Glycine tomentella	Glycine tomentella	Human Edible Plant
BXGF05414	Catha edulis	Catha edulis	Medicinal Plant
BXGF05431	Citrus natsudaidai	Citrus natsudaidai	Human Edible Plant
BXGF05442	Zanthoxylum bungeanum	Zanthoxylum bungeanum	Medicinal Plant
BXGF05480	Lepidium draba	Lepidium draba	Medicinal Plant
BXGF05704	Securidaca inappendiculata	Securidaca inappendiculata	Medicinal Plant
BXGF05817	Panax schinseng	Panax schinseng	Others
BXGF05819	Citrus aurantium	Citrus aurantium	Medicinal Plant
BXGF05843	Pteris prolifera	Pteris prolifera	Others
BXGF05944	Senecio paludaffinis	Senecio paludaffinis	Others
BXGF06075	Zanthoxylum schinifolium	Zanthoxylum schinifolium	Medicinal Plant
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}