Showing entry for Mesodihydroguaiaretic Acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0030879
Compound NameMesodihydroguaiaretic Acid
Structure
FormulaC20H26O4
InchiKeyADFOLUXMYYCTRR-OKILXGFUSA-N
SMILESCOc1cc(ccc1O)C[C@H]([C@H](Cc1ccc(c(c1)OC)O)C)C
InchiInChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14+
IUPAC4-[(2S,3R)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
Molecular Weight330.18
Pubchem Id476856
Chembl IdCHEMBL430464
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 CHEMBL430464
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
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity '=' 68 %
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 28183 nM
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity '=' 69 %
P17405 BXGT008304 Sphingomyelin phosphodiesterase reviewed Enzyme SMPD1 Potency - 112201 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 35481 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 28183 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 79432 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 20596 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 28183 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 1122 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 39810 nM
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity '=' 62 %
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 79432 nM
Q77YF9 BXGT016886 Protein Vpr unreviewed - vpr Potency - 56234 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 10322 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 11220 nM
Q8WZA2 BXGT019025 Rap guanine nucleotide exchange factor 4 reviewed Enzyme modulator RAPGEF4 Potency - 79432 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity '=' 63 %
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Potency - 17782 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 12995 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00118 Nutmeg Myristica fragrans Herbs and Spices
BXGF01709 Hyptis tomentosa Hyptis tomentosa Medicinal Plant
BXGF02562 Cephalonoplos segetum Cephalonoplos segetum Human Edible Plant
BXGF02988 Schisandra glaucescens Schisandra glaucescens Human Edible Plant
BXGF03056 Saururus chinensis Saururus chinensis Medicinal Plant
BXGF03860 Machilus robusta Machilus robusta Others
BXGF04646 Lens phaseoloides Lens phaseoloides Others
BXGF05075 Murraya koenigii Murraya koenigii Medicinal Plant
BXGF05294 Ipomoea cristulata Ipomoea cristulata Others
BXGF05363 Lophozonia menziesii Lophozonia menziesii Others
BXGF05443 Rhodotypos scandens Rhodotypos scandens Others
BXGF05527 Pancratium trianthum Pancratium trianthum Human Edible Plant
BXGF05589 Piper pedicellosum Piper pedicellosum Medicinal Plant
BXGF05808 Xanthostemon oppositifolius Xanthostemon oppositifolius Others
BXGF05836 Esenbeckia nesiotica Esenbeckia nesiotica Others
BXGF05977 Schisandra chinensis Schisandra chinensis Medicinal Plant
BXGF05999 Catalpa bignonioides Catalpa bignonioides Medicinal Plant
BXGF06045 Helipterum tenellum Helipterum tenellum 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