acompound

Showing entry for (R)-Citronellal

General Compound Information
BXGC Id	BXGC0007581
Compound Name	(R)-Citronellal
Structure
Formula	C10H18O
InchiKey	NEHNMFOYXAPHSD-SNVBAGLBSA-N
SMILES	C[C@H](CCC=C(C)C)CC=O
Inchi	InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1
IUPAC	(3R)-3,7-dimethyloct-6-enal
Molecular Weight	154.25
Pubchem Id	75427
Chembl Id	CHEMBL1081721

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

n.a

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

CHEMBL

CHEMBL1081721

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
P29514	BXGT009360	Tubulin beta-6 chain	reviewed	-	TUBB6	Activity	'='	0	um/min
Q75NA5	BXGT016840	Gamma-aminobutyric acid receptor subunit beta	reviewed	-	Rdl	Activity	'='	92	%
O00519	BXGT003934	Fatty-acid amide hydrolase 1	reviewed	-	FAAH	Inhibition	'='	-10	%
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Inhibition	'<'	30	%
P29514	BXGT009360	Tubulin beta-6 chain	reviewed	-	TUBB6	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00054	Lemon	Citrus limon	Fruits
BXGF00055	Pummelo	Citrus maxima	Fruits
BXGF00056	Mandarin orange (Clementine, Tangerine)	Citrus reticulata	Fruits
BXGF00057	Sweet orange	Citrus sinensis	Fruits
BXGF00068	Turmeric	Curcuma longa	Herbs and Spices
BXGF00074	Cardamom	Elettaria cardamomum	Herbs and Spices
BXGF00087	Sea-buckthornberry	Hippophae rhamnoides	Fruits
BXGF00100	Lovage	Levisticum officinale	Herbs and Spices
BXGF00108	Lemon balm	Melissa officinalis	Herbs and Spices
BXGF00118	Nutmeg	Myristica fragrans	Herbs and Spices
BXGF00165	Common sage	Salvia officinalis	Herbs and Spices
BXGF00206	Ginger	Zingiber officinale	Herbs and Spices
BXGF00239	Grapefruit	Citrus X paradisi	Fruits
BXGF00346	Horseradish tree	Moringa oleifera	Vegetables
BXGF00557	Black salsify	Scorzonera hispanica	Vegetables
BXGF00811	Citrus		Fruits
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00871	Citrus unshiu	Citrus unshiu	Medicinal Plant
BXGF00894	Heynea trijuga	Heynea trijuga	Medicinal Plant
BXGF00930	Strophanthus eminii	Strophanthus eminii	Medicinal Plant
BXGF00999	Vachellia karroo	Vachellia karroo	Medicinal Plant
BXGF01066	Stevia alpina	Stevia alpina	Others
BXGF01080	Piper cubeba	Piper cubeba	Medicinal Plant
BXGF01119	Trapa japonica	Trapa japonica	Medicinal Plant
BXGF01283	Crataegus pinnatifida	Crataegus pinnatifida	Medicinal Plant
BXGF01339	Diospyros peregrina	Diospyros peregrina	Medicinal Plant
BXGF01363	Diospyros elliptifolia	Diospyros elliptifolia	Others
BXGF01376	Acicarpha tribuloides	Acicarpha tribuloides	Others
BXGF01525	Diospyros abyssinica	Diospyros abyssinica	Medicinal Plant
BXGF01546	Vallaris heynei	Vallaris heynei	Medicinal Plant
BXGF01572	Cratystylis conocephala	Cratystylis conocephala	Others
BXGF01645	Beaucarnea recurvata	Beaucarnea recurvata	Others
BXGF01823	Houttuynia cordata	Houttuynia cordata	Medicinal Plant
BXGF01868	Vitex negundo	Vitex negundo	Medicinal Plant
BXGF01925	Pelargonium x hortorum	Pelargonium x hortorum	Human Edible Plant
BXGF01966	Chromolaena odorata	Chromolaena odorata	Medicinal Plant
BXGF02064	Corymbia citriodora	Corymbia citriodora	Medicinal Plant
BXGF02106	Citrus medica	Citrus medica	Medicinal Plant
BXGF02171	Centaurea musimomum	Centaurea musimomum	Others
BXGF02179	Cephalaria leucantha	Cephalaria leucantha	Others
BXGF02236	Murraya kwangsiensis	Murraya kwangsiensis	Medicinal Plant
BXGF02436	Bidens andicola	Bidens andicola	Others
BXGF02442	Pluchea dioscoridis	Pluchea dioscoridis	Medicinal Plant
BXGF02592	Ilex affinis	Ilex affinis	Human Edible Plant
BXGF02612	Mosla chinensis	Mosla chinensis	Medicinal Plant
BXGF02667	Anaxagorea clavata	Anaxagorea clavata	Others
BXGF02689	Ligularia hodgsonii	Ligularia hodgsonii	Medicinal Plant
BXGF02737	Artemisia scoparia	Artemisia scoparia	Medicinal Plant
BXGF02753	Diplacus aurantiacus	Diplacus aurantiacus	Others
BXGF02796	Centaurea arbutifolia	Centaurea arbutifolia	Others
BXGF02847	Podocarpus elongata	Podocarpus elongata	Others
BXGF02901	Senecio zoellneri	Senecio zoellneri	Others
BXGF02922	Stemona tuberosa	Stemona tuberosa	Human Edible Plant
BXGF03118	Piper acutifolium	Piper acutifolium	Medicinal Plant
BXGF03144	Stenostomum lucidum	Stenostomum lucidum	Others
BXGF03147	Beyeria brevifolia	Beyeria brevifolia	Others
BXGF03243	Elsholtzia ciliata	Elsholtzia ciliata	Medicinal Plant
BXGF03308	Bidens tripartita	Bidens tripartita	Medicinal Plant
BXGF03327	Citrus trifoliata	Citrus trifoliata	Human Edible Plant
BXGF03363	Hypericum japonicum	Hypericum japonicum	Medicinal Plant
BXGF03405	Genista sessilifolia	Genista sessilifolia	Others
BXGF03421	Kaempferia pulchra	Kaempferia pulchra	Medicinal Plant
BXGF03444	Gastrodia elata	Gastrodia elata	Medicinal Plant
BXGF03452	Pyrola rotundifolia	Pyrola rotundifolia	Medicinal Plant
BXGF03467	Corydalis sewerzowi	Corydalis sewerzowi	Medicinal Plant
BXGF03493	Trapa bicornis	Trapa bicornis	Medicinal Plant
BXGF03534	Drosera peltata	Drosera peltata	Medicinal Plant
BXGF03580	Urtica dioica	Urtica dioica	Medicinal Plant
BXGF03594	Cacalia robusta	Cacalia robusta	Others
BXGF03609	Xyris indica	Xyris indica	Medicinal Plant
BXGF03629	Aconitum palmatum	Aconitum palmatum	Medicinal Plant
BXGF03650	Onoseris alata	Onoseris alata	Others
BXGF03659	Carpesium faberi	Carpesium faberi	Others
BXGF03668	Vellozia streptophylla	Vellozia streptophylla	Others
BXGF03681	Aconitum tianschanicum	Aconitum tianschanicum	Others
BXGF03685	Typha latifolia	Typha latifolia	Medicinal Plant
BXGF03691	Solanum diflorum	Solanum diflorum	Others
BXGF03699	Staehelina fruticosa	Staehelina fruticosa	Others
BXGF03708	Gomphostemma parviflorum	Gomphostemma parviflorum	Others
BXGF03712	Arnica nevadensis	Arnica nevadensis	Others
BXGF03717	Chlamydomonas allensworthii	Chlamydomonas allensworthii	Others
BXGF03727	Hippobroma longiflora	Hippobroma longiflora	Others
BXGF03736	Psilotum nudum	Psilotum nudum	Medicinal Plant
BXGF03745	Odixia angusta	Odixia angusta	Others
BXGF03760	Prunus laurocerasus	Prunus laurocerasus	Medicinal Plant
BXGF03784	Codonopsis cordifolioidea	Codonopsis cordifolioidea	Human Edible Plant
BXGF03812	Ficus formosana	Ficus formosana	Human Edible Plant
BXGF03819	Ariocarpus fissuratus	Ariocarpus fissuratus	Human Edible Plant
BXGF03843	Dipterocarpus alatus	Dipterocarpus alatus	Medicinal Plant
BXGF03864	Echinops amplexicaulis	Echinops amplexicaulis	Medicinal Plant
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
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
BXGF04058	Bunium paucifolium	Bunium paucifolium	Others
BXGF04066	Gardenia fosbergii	Gardenia fosbergii	Others
BXGF04073	Vitex madiensis	Vitex madiensis	Medicinal Plant
BXGF04109	Saussurea costus	Saussurea costus	Medicinal Plant
BXGF04144	Agnorhiza bolanderi	Agnorhiza bolanderi	Others
BXGF04260	Polanisia trachysperma	Polanisia trachysperma	Human Edible Plant
BXGF04321	Eupatorium rebaudianum	Eupatorium rebaudianum	Medicinal Plant
BXGF04399	Solanum boerhaavii	Solanum boerhaavii	Others
BXGF04437	Coleus wulfenioides	Coleus wulfenioides	Others
BXGF04476	Polygala senega	Polygala senega	Medicinal Plant
BXGF04505	Bursera simaruba	Bursera simaruba	Medicinal Plant
BXGF04510	Delphinium denudatum	Delphinium denudatum	Medicinal Plant
BXGF04564	Ephedra equisetina	Ephedra equisetina	Medicinal Plant
BXGF04680	Eschweilera coriacea	Eschweilera coriacea	Human Edible Plant
BXGF04685	Mentha incana	Mentha incana	Others
BXGF04708	Sesbania punicea	Sesbania punicea	Others
BXGF04764	Ericameria laricifolia	Ericameria laricifolia	Others
BXGF04773	Cissus quadrangularis	Cissus quadrangularis	Medicinal Plant
BXGF04815	Litsea cubeba	Litsea cubeba	Medicinal Plant
BXGF04820	Panax ginseng	Panax ginseng	0
BXGF04823	Ormosia fordiana	Ormosia fordiana	Others
BXGF04859	Loranthus longiflorus	Loranthus longiflorus	Medicinal Plant
BXGF04869	Callistemon speciosus	Callistemon speciosus	Others
BXGF04989	Eucalyptus citriodora	Eucalyptus citriodora	Medicinal Plant
BXGF05159	Eucalyptus cladocalyx	Eucalyptus cladocalyx	Medicinal Plant
BXGF05202	Flemingia philippinensis	Flemingia philippinensis	Medicinal Plant
BXGF05255	Asterolasia squamuligera	Asterolasia squamuligera	Others
BXGF05331	Centaurea arenaria	Centaurea arenaria	Others
BXGF05431	Citrus natsudaidai	Citrus natsudaidai	Human Edible Plant
BXGF05442	Zanthoxylum bungeanum	Zanthoxylum bungeanum	Medicinal Plant
BXGF05475	Cinnamomum tenuifolium	Cinnamomum tenuifolium	Human Edible Plant
BXGF05510	Ulva pertusa	Ulva pertusa	Medicinal Plant
BXGF05532	Aniba rosaeodora	Aniba rosaeodora	Medicinal Plant
BXGF05552	Catharanthus roseus	Catharanthus roseus	Medicinal Plant
BXGF05638	Gutenbergia cordifolia	Gutenbergia cordifolia	Medicinal Plant
BXGF05688	Salvadora persica	Salvadora persica	Medicinal Plant
BXGF05704	Securidaca inappendiculata	Securidaca inappendiculata	Medicinal Plant
BXGF05753	Citrus limonia	Citrus limonia	Medicinal Plant
BXGF05819	Citrus aurantium	Citrus aurantium	Medicinal Plant
BXGF05833	Dahlstedtia pentaphylla	Dahlstedtia pentaphylla	Others
BXGF05843	Pteris prolifera	Pteris prolifera	Others
BXGF06044	Citrus junos	Citrus junos	Medicinal Plant
BXGF06062	Podocarpus elatus	Podocarpus elatus	Medicinal Plant
BXGF06075	Zanthoxylum schinifolium	Zanthoxylum schinifolium	Medicinal Plant
BXGF06247	Phyllodium pulchellum	Phyllodium pulchellum	Medicinal Plant
BXGF06286	Mikania scandens	Mikania scandens	Medicinal Plant
BXGF06321	Peltodon longipes	Peltodon longipes	Others
BXGF06326	Cotylelobium scabriusculum	Cotylelobium scabriusculum	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}