acompound

Showing entry for 2,4,5-Trimethoxybenzaldehyde

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0000484
Compound Name	2,4,5-Trimethoxybenzaldehyde
Structure
Formula	C10H12O4
InchiKey	IAJBQAYHSQIQRE-UHFFFAOYSA-N
SMILES	COC1=CC(OC)=C(OC)C=C1C=O
Inchi	InChI=1S/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3
IUPAC	2,4,5-trimethoxybenzaldehyde
Molecular Weight	196.2
Pubchem Id	20525
Chembl Id	CHEMBL1164301

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
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	10000	nM
P63092	BXGT011495	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	reviewed	-	GNAS	Potency	-	1778	nM
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	39810	nM
P10828	BXGT007624	Thyroid hormone receptor beta	reviewed	Nuclear receptor	THRB	Potency	-	12589	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	'='	22387	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	34376	nM
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	11577	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	39810	nM
Q03181	BXGT012701	Peroxisome proliferator-activated receptor delta	reviewed	Nuclear receptor	PPARD	Potency	-	50118	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	39810	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	59	%
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	48	%
Q2M2H8	BXGT026100	Probable maltase-glucoamylase 2	reviewed	Enzyme	MGAM2	Inhibition	-	-	-
P14410	BXGT008009	Sucrase-isomaltase, intestinal	reviewed	Enzyme	SI	Inhibition	-	-	-
P10253	BXGT007550	Lysosomal alpha-glucosidase	reviewed	Enzyme	GAA	Inhibition	-	-	-
O43451	BXGT004594	Maltase-glucoamylase, intestinal	reviewed	Enzyme	MGAM	Inhibition	-	-	-
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00017	Burdock	Arctium lappa	Vegetables
BXGF00072	Wild carrot	Daucus carota	Vegetables
BXGF00230	Carrot	Daucus carota ssp. sativus	Vegetables
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00825	Root vegetables		Vegetables
BXGF01080	Piper cubeba	Piper cubeba	Medicinal Plant
BXGF01179	Forsythia japonica	Forsythia japonica	Others
BXGF04070	Acorus calamus	Acorus calamus	Medicinal Plant
BXGF04999	Castilleja sulphurea	Castilleja sulphurea	Others
BXGF05319	Lindera aggregata	Lindera aggregata	Others
BXGF05353	Piper kadsura	Piper kadsura	Others
BXGF05511	Acorus gramineus	Acorus gramineus	Medicinal Plant
BXGF05656	Gymnosporia trigyna	Gymnosporia trigyna	Others
BXGF06071	Acorus tatarinowii	Acorus tatarinowii	Medicinal Plant
BXGF06190	Dioscorea sativa	Dioscorea sativa	Human Edible Plant
BXGF06230	Huperzia miyoshiana	Huperzia miyoshiana	Others
BXGF06252	Pseudobrickellia brasiliensis	Pseudobrickellia brasiliensis	Others
BXGF06310	Rhododendron latoucheae	Rhododendron latoucheae	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}