acompound

Showing entry for Coniferyl aldehyde

General Compound Information
BXGC Id	BXGC0001003
Compound Name	Coniferyl aldehyde
Structure
Formula	C10H10O3
InchiKey	DKZBBWMURDFHNE-NSCUHMNNSA-N
SMILES	[H]\C(C=O)=C(\[H])C1=CC(OC)=C(O)C=C1
Inchi	InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+
IUPAC	(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
Molecular Weight	178.18
Pubchem Id	5280536
Chembl Id	CHEMBL242529

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

CIY

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
Q9ZTU2	BXGT022482	Caffeic acid O-methyltransferase	unreviewed	OMT1	-	-	-	-	-
Q9SLN8	BXGT021591	2-alkenal reductase (NADP(+)-dependent)	reviewed	DBR	-	-	-	-	-
A0A096LNF0	BXGT000098	Zingiber officinale double bond reductase	unreviewed		-	-	-	-	-
Q0SBK1	BXGT013166	Probable vanillyl-alcohol oxidase	unreviewed	RHA1_ro03282	-	-	-	-	-
P68400	BXGT011599	Casein kinase II subunit alpha	reviewed	CSNK2A1	Kinase	-	-	-	-
Q2PAJ1	BXGT024660	Laccase	unreviewed	lac3	-	-	-	-	-

Binding DB

50211193

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	BXGT010602	Xanthine dehydrogenase/oxidase	reviewed	Enzyme	XDH	93880	-	-	-
reviewed	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	240000	-	-

CHEMBL

CHEMBL242529

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
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	240000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	4	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	13	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	1	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	7	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	18	%
P47989	BXGT010602	Xanthine dehydrogenase/oxidase	reviewed	Enzyme	XDH	Ki	'='	93880	nM
Q00613	BXGT012540	Heat shock factor protein 1	reviewed	Transcription factor	HSF1	Activity	-	-	-
P47989	BXGT010602	Xanthine dehydrogenase/oxidase	reviewed	Enzyme	XDH	Inhibition	'='	72	%
P47989	BXGT010602	Xanthine dehydrogenase/oxidase	reviewed	Enzyme	XDH	IC50	'='	36	ug.mL-1
P38532	BXGT010049	Heat shock factor protein 1	reviewed	-	Hsf1	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00051	Ceylon cinnamon	Cinnamomum verum	Herbs and Spices
BXGF00101	Flaxseed	Linum usitatissimum	Herbs and Spices
BXGF00179	Cloves	Syzygium aromaticum	Herbs and Spices
BXGF00181	Dandelion	Taraxacum officinale	Herbs and Spices
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00260	Acorn	Quercus	Nuts
BXGF00265	Allspice	Pimenta dioica	Herbs and Spices
BXGF00275	Bamboo shoots	Phyllostachys edulis	Vegetables
BXGF00291	Butternut	Juglans cinerea	Nuts
BXGF00589	Sherry		Beverages
BXGF00875	Glycosmis pseudoracemosa	Glycosmis pseudoracemosa	Medicinal Plant
BXGF01063	Corydalis persica	Corydalis persica	Others
BXGF01109	Styrax benzoin	Styrax benzoin	Medicinal Plant
BXGF01136	Inula grantioides	Inula grantioides	Medicinal Plant
BXGF01359	Daphne feddei	Daphne feddei	Others
BXGF01395	Juniperus horizontalis	Juniperus horizontalis	Medicinal Plant
BXGF01577	Strychnos spinosa	Strychnos spinosa	Medicinal Plant
BXGF01668	Taraxacum platycarpum	Taraxacum platycarpum	Medicinal Plant
BXGF01714	Amomum daniellii	Amomum daniellii	Others
BXGF01852	Plectranthus caninus	Plectranthus caninus	Medicinal Plant
BXGF01935	Lathyrus tingitanus	Lathyrus tingitanus	Human Edible Plant
BXGF01970	Rauvolfia salicifolia	Rauvolfia salicifolia	Others
BXGF01990	Balanophora japonica	Balanophora japonica	Medicinal Plant
BXGF02152	Taraxacum borealisinense	Taraxacum borealisinense	Others
BXGF02350	Cota tinctoria	Cota tinctoria	Medicinal Plant
BXGF02403	Eucalyptus radiata	Eucalyptus radiata	Human Edible Plant
BXGF02479	Torreya nuncifera	Torreya nuncifera	Others
BXGF02527	Nicotiana tabacum	Nicotiana tabacum	Medicinal Plant
BXGF02574	Torreya grandis	Torreya grandis	Medicinal Plant
BXGF02787	Melia azedarach	Melia azedarach	Medicinal Plant
BXGF03247	Anastatica hierochuntica	Anastatica hierochuntica	Medicinal Plant
BXGF03312	Ajania fruticulosa	Ajania fruticulosa	Medicinal Plant
BXGF03460	Microtropis japonica	Microtropis japonica	Others
BXGF03625	Alchornea cordifolia	Alchornea cordifolia	Medicinal Plant
BXGF03630	Taraxacum coreanum	Taraxacum coreanum	Others
BXGF03706	Tetradium glabrifolium	Tetradium glabrifolium	Others
BXGF03718	Swertia angustifolia	Swertia angustifolia	Medicinal Plant
BXGF04039	Hedychium coronarium	Hedychium coronarium	Medicinal Plant
BXGF04310	Taraxacum mongolicum	Taraxacum mongolicum	Medicinal Plant
BXGF04785	Ilex taubertiana	Ilex taubertiana	Others
BXGF04918	Taxus yunnanensis	Taxus yunnanensis	Others
BXGF05005	Cinnamomum cassia	Cinnamomum cassia	Medicinal Plant
BXGF05188	Corynanthe pachyceras	Corynanthe pachyceras	Others
BXGF05199	Berberis koreana	Berberis koreana	Medicinal Plant
BXGF05264	Magnolia officinalis	Magnolia officinalis	Medicinal Plant
BXGF05455	Peucedanum oroselinum	Peucedanum oroselinum	Others
BXGF05471	Cynoglossum amabile	Cynoglossum amabile	Medicinal Plant
BXGF05626	Annona glabra	Annona glabra	Medicinal Plant
BXGF05746	Atalantia wightii	Atalantia wightii	Others
BXGF05809	Sonchus oleraceus	Sonchus oleraceus	Medicinal Plant
BXGF06052	Astragalus curvicarpus	Astragalus curvicarpus	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}