Showing entry for Gingkolic Acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0023292
Compound NameGingkolic Acid
Structure
FormulaC22H34O3
InchiKeyYXHVCZZLWZYHSA-FPLPWBNLSA-N
SMILESCCCCCC/C=C\CCCCCCCc1cccc(c1C(=O)O)O
InchiInChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7-
IUPAC2-hydroxy-6-[(Z)-pentadec-8-enyl]benzoic acid
Molecular Weight346.25
Pubchem Id5281858
Chembl IdCHEMBL445177
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 50242188
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 BXGT007788 Fatty acid synthase reviewed FASN - 17100 - -
reviewed BXGT006778 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 reviewed PLCG1 - 5660 - -
reviewed BXGT006778 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 reviewed PLCG1 - 76320 - -
reviewed BXGT005645 Trypsin reviewed - - >200000 - -
reviewed BXGT007950 Tissue factor reviewed Receptor F3 - 32000 - -
reviewed BXGT006736 Seed linoleate 13S-lipoxygenase-1 reviewed LOX1.1 - 50000 - -
reviewed BXGT021651 SUMO-activating enzyme subunit 1 reviewed Enzyme SAE1 - 3000 - -
CHEMBL CHEMBL445177
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
P00761 BXGT005645 Trypsin reviewed - IC50 '>' 200000 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 135 %
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 79432 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 17782 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 8912 nM
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 39810 nM
O42713 BXGT004563 Polyphenol oxidase 2 reviewed - PPO2 ID50 '=' 7 mM
O42713 BXGT004563 Polyphenol oxidase 2 reviewed - PPO2 Activity - - -
O42713 BXGT004563 Polyphenol oxidase 2 reviewed - PPO2 Inhibition '=' 15 %
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 39810 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 39810 nM
P08487 BXGT006778 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 reviewed - PLCG1 IC50 '=' 5660 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 31622 nM
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Potency '=' 1584 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 15811 nM
Q9UBE0 BXGT021651 SUMO-activating enzyme subunit 1 reviewed Enzyme SAE1 IC50 '=' 3000 nM
O15296 BXGT004148 Arachidonate 15-lipoxygenase B reviewed Enzyme ALOX15B Potency - 25118 nM
P13726 BXGT007950 Tissue factor reviewed Receptor F3 IC50 '=' 32000 nM
P08709 BXGT006818 Coagulation factor VII reviewed Enzyme F7 IC50 '=' 32000 nM
P08487 BXGT006778 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 reviewed - PLCG1 IC50 '=' 76320 nM
Q9UBT2 BXGT021663 SUMO-activating enzyme subunit 2 reviewed Enzyme UBA2 Inhibition - - -
Q9UBE0 BXGT021651 SUMO-activating enzyme subunit 1 reviewed Enzyme SAE1 Inhibition - - -
P08170 BXGT006736 Seed linoleate 13S-lipoxygenase-1 reviewed - LOX1.1 IC50 '=' 50000 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 93 %
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 39810 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00042 Safflower Carthamus tinctorius Herbs and Spices
BXGF00337 Ginkgo nuts Ginkgo biloba Herbs and Spices
BXGF00369 Sacred lotus Nelumbo nucifera Vegetables
BXGF01401 Aronia arbutifolia Aronia arbutifolia Medicinal Plant
BXGF01520 Viscaria viscosa Viscaria viscosa Others
BXGF01532 Clibadium mexiae Clibadium mexiae Others
BXGF02268 Ginkgo semen Ginkgo semen Others
BXGF02469 Discaria serratifolia Discaria serratifolia Others
BXGF05097 Pteris dactylina Pteris dactylina Medicinal Plant
BXGF06172 Pyrostegia venusta Pyrostegia venusta Others
BXGF06324 Justicia hayatai Justicia hayatai 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