Showing entry for Salicaldehyde


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0002748
Compound NameSalicaldehyde
Structure
FormulaC7H6O2
InchiKeySMQUZDBALVYZAC-UHFFFAOYSA-N
SMILESOC1=CC=CC=C1C=O
InchiInChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
IUPAC2-hydroxybenzaldehyde
Molecular Weight122.12
Pubchem Id6998
Chembl IdCHEMBL108925
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 NK
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
P10275 BXGT007552 Androgen receptor reviewed AR Nuclear receptor - - - -
Q1XGL7 BXGT013866 Salicylaldehyde dehydrogenase NahF unreviewed nahF - - - - -
Binding DB 50139367
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 BXGT005127 Serine/threonine-protein kinase/endoribonuclease IRE1 reviewed Kinase ERN1 - >20000 - -
reviewed BXGT008039 Tyrosinase reviewed Enzyme TYR - 3300000 - -
reviewed BXGT004563 Polyphenol oxidase 2 reviewed PPO2 - 833000 - -
CHEMBL CHEMBL108925
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
O75460 BXGT005127 Serine/threonine-protein kinase/endoribonuclease IRE1 reviewed Kinase ERN1 IC50 '>' 20000 nM
O00519 BXGT003934 Fatty-acid amide hydrolase 1 reviewed - FAAH Inhibition '=' -15 %
P80456 BXGT011910 Aldehyde oxidase 1 reviewed - AOX1 IC50 '=' 1140000 nM
O01945 BXGT003953 Collagen unreviewed - Activity '=' 61 %
P14679 BXGT008039 Tyrosinase reviewed Enzyme TYR IC50 '=' 3300000 nM
O01945 BXGT003953 Collagen unreviewed - Activity '=' 57 %
P05164 BXGT006333 Myeloperoxidase reviewed Enzyme MPO Inhibition - - -
O01945 BXGT003953 Collagen unreviewed - Activity - - -
O42713 BXGT004563 Polyphenol oxidase 2 reviewed - PPO2 IC50 '=' 833000 nM
O42713 BXGT004563 Polyphenol oxidase 2 reviewed - PPO2 IC50 '=' 1000000 nM
O42713 BXGT004563 Polyphenol oxidase 2 reviewed - PPO2 Inhibition '=' 51 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00013 Dill Anethum graveolens Herbs and Spices
BXGF00038 Tea Camellia sinensis Teas
BXGF00079 Common buckwheat Fagopyrum esculentum Cereals and cereal products
BXGF00113 Peppermint Mentha X piperita Herbs and Spices
BXGF00173 Garden tomato (var.) Solanum lycopersicum var. lycopersicum Vegetables
BXGF00818 Herbs and Spices Herbs and Spices
BXGF04982 Ligusticum chuanxiong Ligusticum chuanxiong 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