acompound

Showing entry for Benzaldehyde

General Compound Information
BXGC Id	BXGC0007629
Compound Name	Benzaldehyde
Structure
Formula	C7H6O
InchiKey	HUMNYLRZRPPJDN-UHFFFAOYSA-N
SMILES	O=CC1=CC=CC=C1
Inchi	InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
IUPAC	benzaldehyde
Molecular Weight	106.12
Pubchem Id	240
Chembl Id	CHEMBL15972

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

HBX

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
Q945K2	BXGT019552	(R)-mandelonitrile lyase 2	reviewed	MDL2	-	-	-	-	-
Q7PGA3	BXGT017075	AGAP010409-PA	unreviewed	OBP22	-	-	-	-	-
P14174	BXGT007991	Macrophage migration inhibitory factor	reviewed	MIF	-	-	-	-	-
Q46509	BXGT014646	Aldehyde oxidoreductase	reviewed	mop	-	-	-	-	-
A0A1C9V3S9	BXGT000715	Hydroxynitrile lyase isoform 1	unreviewed	HNL1	-	-	-	-	-
A0A1L7NZN4	BXGT000737	Hydroxynitrile lyase	unreviewed	PeHNL	-	-	-	-	-
O52792	BXGT023675	4-hydroxymandelate oxidase	reviewed	hmo	-	-	-	-	-
Q9LFT6	BXGT021075	Alpha-hydroxynitrile lyase	reviewed	HNL	-	-	-	-	-
O24243	BXGT004224	(R)-mandelonitrile lyase 1	reviewed	MDL1	-	-	-	-	-

Binding DB

60953

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	BXGT007716	Cytochrome P450 2A6	reviewed		CYP2A6	-	3920	-	-
reviewed	BXGT008039	Tyrosinase	reviewed	Enzyme	TYR	-	820000	-	-
reviewed	BXGT008610	Cytochrome P450 2A5	reviewed		Cyp2a5	-	3280	-	-

CHEMBL

CHEMBL15972

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
P05164	BXGT006333	Myeloperoxidase	reviewed	Enzyme	MPO	Inhibition	-	-	-
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Activity	'='	62	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	177000	nM
P14902	BXGT008065	Indoleamine 2,3-dioxygenase 1	reviewed	-	IDO1	Inhibition	-	-	-
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Activity	'='	2	%
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	3162	nM
P20852	BXGT008610	Cytochrome P450 2A5	reviewed	-	Cyp2a5	IC50	'='	3280	nM
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Potency	-	50118	nM
P14679	BXGT008039	Tyrosinase	reviewed	Enzyme	TYR	IC50	'='	820000	nM
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	IC50	'='	3920	nM
O01945	BXGT003953	Collagen	unreviewed	-		Activity	'='	0	%
P10145	BXGT007542	Interleukin-8	reviewed	Signaling	CXCL8	Potency	-	74978	nM
Q03181	BXGT012701	Peroxisome proliferator-activated receptor delta	reviewed	Nuclear receptor	PPARD	Potency	-	50118	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	5623	nM
P0A0J7	BXGT006970	Quinolone resistance protein NorA	reviewed	-	norA	Activity	'>'	128	ug ml-1
O01945	BXGT003953	Collagen	unreviewed	-		Activity	'='	6	%
P80456	BXGT011910	Aldehyde oxidase 1	reviewed	-	AOX1	IC50	'='	660000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	-	-	-
P0DPI0	BXGT007528	Botulinum neurotoxin type A	reviewed	-	botA	IC50	'='	2900	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00011	Cashew nut	Anacardium occidentale	Nuts
BXGF00017	Burdock	Arctium lappa	Vegetables
BXGF00022	Oat	Avena sativa	Cereals and cereal products
BXGF00033	Kohlrabi	Brassica oleracea var. gongylodes	Vegetables
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00041	Papaya	Carica papaya	Fruits
BXGF00042	Safflower	Carthamus tinctorius	Herbs and Spices
BXGF00050	Chinese cinnamon	Cinnamomum aromaticum	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
BXGF00056	Mandarin orange (Clementine, Tangerine)	Citrus reticulata	Fruits
BXGF00057	Sweet orange	Citrus sinensis	Fruits
BXGF00063	Saffron	Crocus sativus	Herbs and Spices
BXGF00064	Muskmelon	Cucumis melo	Gourds
BXGF00068	Turmeric	Curcuma longa	Herbs and Spices
BXGF00072	Wild carrot	Daucus carota	Vegetables
BXGF00076	Loquat	Eriobotrya japonica	Fruits
BXGF00077	Rocket salad (ssp.)	Eruca vesicaria ssp. sativa	Vegetables
BXGF00081	Fig	Ficus carica	Fruits
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00087	Sea-buckthornberry	Hippophae rhamnoides	Fruits
BXGF00089	Hyssop	Hyssopus officinalis	Herbs and Spices
BXGF00093	Black walnut	Juglans nigra	Nuts
BXGF00097	Sweet bay	Laurus nobilis	Herbs and Spices
BXGF00103	Lichee	Litchi chinensis	Fruits
BXGF00108	Lemon balm	Melissa officinalis	Herbs and Spices
BXGF00111	Cornmint	Mentha arvensis	Herbs and Spices
BXGF00112	Spearmint	Mentha spicata	Herbs and Spices
BXGF00119	Sweet basil	Ocimum basilicum	Herbs and Spices
BXGF00131	Parsley	Petroselinum crispum	Herbs and Spices
BXGF00134	Common bean	Phaseolus vulgaris	Pulses
BXGF00144	Apricot	Prunus armeniaca	Fruits
BXGF00146	Sour cherry	Prunus cerasus	Fruits
BXGF00148	Almond	Prunus dulcis	Nuts
BXGF00149	Peach	Prunus persica	Fruits
BXGF00150	Guava	Psidium guajava	Fruits
BXGF00155	Blackcurrant	Ribes nigrum	Fruits
BXGF00162	Red raspberry	Rubus idaeus	Fruits
BXGF00166	Black elderberry	Sambucus nigra	Fruits
BXGF00173	Garden tomato (var.)	Solanum lycopersicum var. lycopersicum	Vegetables
BXGF00179	Cloves	Syzygium aromaticum	Herbs and Spices
BXGF00187	Common wheat	Triticum aestivum	Cereals and cereal products
BXGF00191	Highbush blueberry	Vaccinium corymbosum	Fruits
BXGF00192	American cranberry	Vaccinium macrocarpon	Fruits
BXGF00193	Bilberry	Vaccinium myrtillus	Fruits
BXGF00194	Lingonberry	Vaccinium vitis-idaea	Fruits
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00206	Ginger	Zingiber officinale	Herbs and Spices
BXGF00393	Pepper (C. frutescens)	Capsicum annuum var. annuum	Vegetables
BXGF00410	Roselle	Hibiscus sabdariffa	Herbs and Spices
BXGF00807	Onion-family vegetables		Vegetables
BXGF00810	Cereals and cereal products		Cereals and cereal products
BXGF00815	Milk and milk products		Milk and milk products
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00821	Nuts		Nuts
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
BXGF00902	Liquidambar orientalis	Liquidambar orientalis	Medicinal Plant
BXGF00911	Piper attenuatum	Piper attenuatum	Medicinal Plant
BXGF00946	Artemisia montana	Artemisia montana	Medicinal Plant
BXGF00959	Artemisia hanseniana	Artemisia hanseniana	Others
BXGF01065	Artemisia capillaris	Artemisia capillaris	Medicinal Plant
BXGF01081	Akebia trifoliata	Akebia trifoliata	Medicinal Plant
BXGF01109	Styrax benzoin	Styrax benzoin	Medicinal Plant
BXGF01132	Gossypium herbaceum	Gossypium herbaceum	Medicinal Plant
BXGF01159	Kopsia grandifolia	Kopsia grandifolia	Others
BXGF01185	Aloe vera	Aloe vera	Medicinal Plant
BXGF01267	Dendrobium chrysanthum	Dendrobium chrysanthum	Medicinal Plant
BXGF01281	Ledebouria socialis	Ledebouria socialis	Others
BXGF01361	Lycopus europaeus	Lycopus europaeus	Medicinal Plant
BXGF01370	Artemisia jacutica	Artemisia jacutica	Others
BXGF01400	Dipterocarpus dyeri	Dipterocarpus dyeri	Others
BXGF01422	Camptotheca acuminata	Camptotheca acuminata	Medicinal Plant
BXGF01473	Siphonostegia chinensis	Siphonostegia chinensis	Medicinal Plant
BXGF01518	Ipomoea cairica	Ipomoea cairica	Medicinal Plant
BXGF01699	Ceanothus velutinus	Ceanothus velutinus	Medicinal Plant
BXGF01716	Mentha canadensis	Mentha canadensis	Medicinal Plant
BXGF01732	Garcinia scortechinii	Garcinia scortechinii	Others
BXGF01756	Apollonias barbujana	Apollonias barbujana	Others
BXGF01781	Chlorophytum borivilianum	Chlorophytum borivilianum	Medicinal Plant
BXGF01858	Bersama abyssinica	Bersama abyssinica	Medicinal Plant
BXGF01900	Aloe ferox	Aloe ferox	Medicinal Plant
BXGF01973	Lonicera japonica	Lonicera japonica	Medicinal Plant
BXGF01975	Syringa vulgaris	Syringa vulgaris	Medicinal Plant
BXGF02024	Actaea dahurica	Actaea dahurica	Human Edible Plant
BXGF02143	Actaea cimicifuga	Actaea cimicifuga	Medicinal Plant
BXGF02167	Scutellaria barbata	Scutellaria barbata	Medicinal Plant
BXGF02316	Isodon lophanthoides	Isodon lophanthoides	Medicinal Plant
BXGF02356	Elsholtzia bodinieri	Elsholtzia bodinieri	Medicinal Plant
BXGF02441	Aconitum sajanense	Aconitum sajanense	Others
BXGF02567	Lycium chinense	Lycium chinense	Medicinal Plant
BXGF02596	Fragaria vesca	Fragaria vesca	Medicinal Plant
BXGF02612	Mosla chinensis	Mosla chinensis	Medicinal Plant
BXGF02635	Ephedra sinica	Ephedra sinica	Medicinal Plant
BXGF02815	Pinellia ternata	Pinellia ternata	Medicinal Plant
BXGF02847	Podocarpus elongata	Podocarpus elongata	Others
BXGF02870	Strychnos triplinervia	Strychnos triplinervia	Medicinal Plant
BXGF02927	Akebia quinata	Akebia quinata	Medicinal Plant
BXGF02999	Prunus sibirica	Prunus sibirica	Medicinal Plant
BXGF03078	Chrysanthemum x morifolium	Chrysanthemum x morifolium	Medicinal Plant
BXGF03090	Lasianthus fordii	Lasianthus fordii	Others
BXGF03092	Codium fragile	Codium fragile	Medicinal Plant
BXGF03238	Eupatorium fortunei	Eupatorium fortunei	Medicinal Plant
BXGF03243	Elsholtzia ciliata	Elsholtzia ciliata	Medicinal Plant
BXGF03319	Trichosanthes kirilowii	Trichosanthes kirilowii	Medicinal Plant
BXGF03348	Panax notoginseng	Panax notoginseng	Medicinal Plant
BXGF03414	Centranthus longiflorus ssp. longiflorus	Centranthus longiflorus ssp. longiflorus	Others
BXGF03432	Chrysanthemum indicum	Chrysanthemum indicum	Medicinal Plant
BXGF03479	Bombax ceiba	Bombax ceiba	Medicinal Plant
BXGF03610	Bistorta officinalis	Bistorta officinalis	Medicinal Plant
BXGF03645	Lycium barbarum	Lycium barbarum	Medicinal Plant
BXGF03704	Camellia saluenensis	Camellia saluenensis	Medicinal Plant
BXGF03714	Elsholtzia splendens	Elsholtzia splendens	Medicinal Plant
BXGF03789	Paeonia veitchii	Paeonia veitchii	Medicinal Plant
BXGF03953	Artemisia princeps	Artemisia princeps	Medicinal Plant
BXGF03954	Prunus mandshurica	Prunus mandshurica	Others
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
BXGF04209	Chaenomeles sinensis	Chaenomeles sinensis	Medicinal Plant
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
BXGF04283	Terminalia chebula	Terminalia chebula	Medicinal Plant
BXGF04285	Conocephalum conicum	Conocephalum conicum	Others
BXGF04295	Leonurus glaucescens	Leonurus glaucescens	Medicinal Plant
BXGF04342	Salacia madagascariensis	Salacia madagascariensis	Human Edible Plant
BXGF04343	Maba buxifolia	Maba buxifolia	Medicinal Plant
BXGF04348	Sagittaria sagittifolia	Sagittaria sagittifolia	Medicinal Plant
BXGF04402	Actaea simplex	Actaea simplex	Others
BXGF04605	Senna alexandrina	Senna alexandrina	Medicinal Plant
BXGF04611	Artemisia argyi	Artemisia argyi	Medicinal Plant
BXGF04631	Aloe spicata	Aloe spicata	Medicinal Plant
BXGF04680	Eschweilera coriacea	Eschweilera coriacea	Human Edible Plant
BXGF04712	Prunus mume	Prunus mume	Medicinal Plant
BXGF04777	Quercus sessiliflora	Quercus sessiliflora	Others
BXGF04820	Panax ginseng	Panax ginseng	0
BXGF04889	Pogostemon cablin	Pogostemon cablin	Medicinal Plant
BXGF04926	Aloe africana	Aloe africana	Medicinal Plant
BXGF04972	Eugenia caryopyhllata	Eugenia caryopyhllata	Others
BXGF05096	Aconitum leucostomum	Aconitum leucostomum	Medicinal Plant
BXGF05159	Eucalyptus cladocalyx	Eucalyptus cladocalyx	Medicinal Plant
BXGF05200	Aquilegia ecalcarata	Aquilegia ecalcarata	Medicinal Plant
BXGF05286	Cassia jahnii	Cassia jahnii	Others
BXGF05316	Persea mexicana	Persea mexicana	Others
BXGF05330	Arum ternatum thunb	Arum ternatum thunb	Others
BXGF05462	Campsis flos	Campsis flos	Others
BXGF05480	Lepidium draba	Lepidium draba	Medicinal Plant
BXGF05510	Ulva pertusa	Ulva pertusa	Medicinal Plant
BXGF05571	Ziziphus jujuba	Ziziphus jujuba	Medicinal Plant
BXGF05651	Humulus scandens	Humulus scandens	Human Edible Plant
BXGF05688	Salvadora persica	Salvadora persica	Medicinal Plant
BXGF05718	Avrainvillea rawsonii	Avrainvillea rawsonii	Others
BXGF05767	Gardenia tubifera	Gardenia tubifera	Medicinal Plant
BXGF05845	Panax innovans	Panax innovans	Others
BXGF05853	Cannabis sativa	Cannabis sativa	Medicinal Plant
BXGF05874	Damnacanthus major	Damnacanthus major	Others
BXGF05956	Blumea mollis	Blumea mollis	Medicinal Plant
BXGF06063	Stauntonia hexaphylla	Stauntonia hexaphylla	Medicinal Plant
BXGF06070	Perilla frutescens	Perilla frutescens	Medicinal Plant
BXGF06224	Rubus sanctus	Rubus sanctus	Medicinal Plant
BXGF06321	Peltodon longipes	Peltodon longipes	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}