acompound

General Compound Information
BXGC Id	BXGC0025587
Compound Name	(-)-Citronellal
Structure
Formula	C10H18O
InchiKey	NEHNMFOYXAPHSD-JTQLQIEISA-N
SMILES	O=CC[C@H](CCC=C(C)C)C
Inchi	InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m0/s1
IUPAC	(3S)-3,7-dimethyloct-6-enal
Molecular Weight	154.14
Pubchem Id	443157
Chembl Id	CHEMBL2426622

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

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	'='	1	um/min
P29514	BXGT009360	Tubulin beta-6 chain	reviewed	-	TUBB6	Activity	'='	14	um/min
P29514	BXGT009360	Tubulin beta-6 chain	reviewed	-	TUBB6	Activity	'='	5	um/min
P29514	BXGT009360	Tubulin beta-6 chain	reviewed	-	TUBB6	Activity	-	-	-
P29514	BXGT009360	Tubulin beta-6 chain	reviewed	-	TUBB6	Activity	'='	7	um/min

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
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
BXGF00206	Ginger	Zingiber officinale	Herbs and Spices
BXGF00871	Citrus unshiu	Citrus unshiu	Medicinal Plant
BXGF01080	Piper cubeba	Piper cubeba	Medicinal Plant
BXGF01868	Vitex negundo	Vitex negundo	Medicinal Plant
BXGF02106	Citrus medica	Citrus medica	Medicinal Plant
BXGF02612	Mosla chinensis	Mosla chinensis	Medicinal Plant
BXGF03243	Elsholtzia ciliata	Elsholtzia ciliata	Medicinal Plant
BXGF03327	Citrus trifoliata	Citrus trifoliata	Human Edible Plant
BXGF04109	Saussurea costus	Saussurea costus	Medicinal Plant
BXGF04815	Litsea cubeba	Litsea cubeba	Medicinal Plant
BXGF04909	Hippophae fructus	Hippophae fructus	Others
BXGF05330	Arum ternatum thunb	Arum ternatum thunb	Others
BXGF05431	Citrus natsudaidai	Citrus natsudaidai	Human Edible Plant
BXGF05442	Zanthoxylum bungeanum	Zanthoxylum bungeanum	Medicinal Plant
BXGF05819	Citrus aurantium	Citrus aurantium	Medicinal Plant
BXGF05855	Geranium wilfordii maxim	Geranium wilfordii maxim	Others
BXGF06075	Zanthoxylum schinifolium	Zanthoxylum schinifolium	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}