acompound

General Compound Information
BXGC Id	BXGC0000481
Compound Name	Xanthoxylin
Structure
Formula	C10H12O4
InchiKey	FBUBVLUPUDBFME-UHFFFAOYSA-N
SMILES	COC1=CC(O)=C(C(C)=O)C(OC)=C1
Inchi	InChI=1S/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3
IUPAC	1-(2-hydroxy-4,6-dimethoxyphenyl)ethan-1-one
Molecular Weight	196.2
Pubchem Id	66654
Chembl Id	CHEMBL450288

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
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	25118	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	128	%
P28482	BXGT009263	Mitogen-activated protein kinase 1	reviewed	Kinase	MAPK1	Potency	'='	28183	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	1122	nM
Q16637	BXGT013646	Survival motor neuron protein	reviewed	Epigenetic regulator	SMN1	Potency	'='	891	nM
P53350	BXGT010984	Serine/threonine-protein kinase PLK1	reviewed	Kinase	PLK1	Potency	-	26679	nM
O75604	BXGT005139	Ubiquitin carboxyl-terminal hydrolase 2	reviewed	Enzyme	USP2	Potency	'='	15848	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	2592	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	25929	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	206	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	104	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00057	Sweet orange	Citrus sinensis	Fruits
BXGF00107	German camomile	Matricaria recutita	Herbs and Spices
BXGF00151	Pomegranate	Punica granatum	Fruits
BXGF00557	Black salsify	Scorzonera hispanica	Vegetables
BXGF00816	Fats and oils		Fats and oils
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF01119	Trapa japonica	Trapa japonica	Medicinal Plant
BXGF01339	Diospyros peregrina	Diospyros peregrina	Medicinal Plant
BXGF01363	Diospyros elliptifolia	Diospyros elliptifolia	Others
BXGF01525	Diospyros abyssinica	Diospyros abyssinica	Medicinal Plant
BXGF01572	Cratystylis conocephala	Cratystylis conocephala	Others
BXGF01645	Beaucarnea recurvata	Beaucarnea recurvata	Others
BXGF02861	Clausena excavata	Clausena excavata	Medicinal Plant
BXGF03388	Hippomane mancinella	Hippomane mancinella	Others
BXGF03964	Triadica sebifera	Triadica sebifera	Medicinal Plant
BXGF04271	Artemisia annua	Artemisia annua	Medicinal Plant
BXGF04780	Euphorbia maculata	Euphorbia maculata	Medicinal Plant
BXGF05331	Centaurea arenaria	Centaurea arenaria	Others
BXGF05442	Zanthoxylum bungeanum	Zanthoxylum bungeanum	Medicinal Plant
BXGF05520	Euphorbia humifusa	Euphorbia humifusa	Medicinal Plant
BXGF05638	Gutenbergia cordifolia	Gutenbergia cordifolia	Medicinal Plant
BXGF05855	Geranium wilfordii maxim	Geranium wilfordii maxim	Others
BXGF06247	Phyllodium pulchellum	Phyllodium pulchellum	Medicinal Plant
BXGF06286	Mikania scandens	Mikania scandens	Medicinal Plant
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}