Showing entry for 4-[(3S)-8,8-Dimethyl-3,4-Dihydro-2H-Pyrano[2,3-F]Chromen-3-Yl]Benzene-1,3-Diol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0021255
Compound Name4-[(3S)-8,8-Dimethyl-3,4-Dihydro-2H-Pyrano[2,3-F]Chromen-3-Yl]Benzene-1,3-Diol
Structure
FormulaC20H20O4
InchiKeyLBQIJVLKGVZRIW-CYBMUJFWSA-N
SMILESOc1ccc(c(c1)O)[C@H]1COc2c(C1)ccc1c2C=CC(O1)(C)C
InchiInChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m1/s1
IUPAC4-[(3S)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol
Molecular Weight324.14
Pubchem Id44144325
Chembl IdCHEMBL1360535
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 113925
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 BXGT011847 Disintegrin and metalloproteinase domain-containing protein 17 reviewed ADAM17 - 69509 - -
reviewed BXGT004081 Disintegrin and metalloproteinase domain-containing protein 10 reviewed ADAM10 - 19452 - -
CHEMBL CHEMBL1360535
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
P14735 BXGT008042 Insulin-degrading enzyme reviewed Enzyme IDE EC50 '>' 54696 nM
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Potency - 7079 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 25929 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 12995 nM
P07900 BXGT006696 Heat shock protein HSP 90-alpha reviewed Chaperone HSP90AA1 AC50 '=' 7450 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 3662 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 11577 nM
O15118 BXGT004127 NPC intracellular cholesterol transporter 1 reviewed Transporter NPC1 Potency '=' 5623 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 20596 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 50118 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 50118 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 35481 nM
P78536 BXGT011847 Disintegrin and metalloproteinase domain-containing protein 17 reviewed - ADAM17 IC50 '>' 69509 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 12589 nM
Q8IL32 BXGT018308 Heat shock protein 90, putative unreviewed - PF3D7_1443900 AC50 '=' 4596 nM
P51151 BXGT010837 Ras-related protein Rab-9A reviewed - RAB9A Potency '=' 2238 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 730 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 730 nM
P62826 BXGT011463 GTP-binding nuclear protein Ran reviewed Enzyme modulator RAN Potency - 730 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 56234 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 17782 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency - 10000 nM
Q77YF9 BXGT016886 Protein Vpr unreviewed - vpr Potency - 63095 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 14125 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 25118 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF04872 Glycyrrhiza glabra Glycyrrhiza glabra 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