Showing entry for Gerontoxanthone I


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0040779
Compound NameGerontoxanthone I
Structure
FormulaC23H24O6
InchiKeySHKQTNVZRNUENO-UHFFFAOYSA-N
SMILESC=CC(c1c(O)c(CC=C(C)C)c(c2c1oc1c(O)c(O)ccc1c2=O)O)(C)C
InchiInChI=1S/C23H24O6/c1-6-23(4,5)16-19(27)12(8-7-11(2)3)17(25)15-18(26)13-9-10-14(24)20(28)21(13)29-22(15)16/h6-7,9-10,24-25,27-28H,1,8H2,2-5H3
IUPAC1,3,5,6-tetrahydroxy-4-(2-methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)xanthen-9-one
Molecular Weight396.16
Pubchem Id14412270
Chembl IdCHEMBL478791
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 53423
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 BXGT021407 Ubiquitin carboxyl-terminal hydrolase isozyme L1 reviewed Uchl1 - 1800 - -
reviewed BXGT007576 Streptokinase A reviewed ska - - - 150000
reviewed BXGT012099 Mitochondrial import inner membrane translocase subunit TIM10 reviewed TIM10 - 30700 - -
CHEMBL CHEMBL478791
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
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 16360 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 580 nM
C4YTQ8 BXGT002500 ATP-dependent molecular chaperone HSP82 unreviewed - CAWG_05553 EC50 '=' 3408 nM
P10520 BXGT007576 Streptokinase A reviewed - ska EC50 '=' 1802 nM
Q63470 BXGT016073 Dual specificity tyrosine-phosphorylation-regulated kinase 1A reviewed - Dyrk1a AC50 '=' 8270 nM
P10520 BXGT007576 Streptokinase A reviewed - ska EC50 '>' 150000 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 50118 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 50118 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 18356 nM
Q8IL32 BXGT018308 Heat shock protein 90, putative unreviewed - PF3D7_1443900 AC50 '=' 6763 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 23109 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 44668 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 16360 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 14125 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 35481 nM
Q77YF9 BXGT016886 Protein Vpr unreviewed - vpr Potency - 35481 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 11220 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 112201 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 28183 nM
P35869 BXGT009877 Aryl hydrocarbon receptor reviewed Transcription factor AHR FC '>=' 2 -
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 89125 nM
P07900 BXGT006696 Heat shock protein HSP 90-alpha reviewed Chaperone HSP90AA1 AC50 '=' 8025 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 23109 nM
P87108 BXGT012099 Mitochondrial import inner membrane translocase subunit TIM10 reviewed - TIM10 IC50 '=' 30700 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 35481 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF03020 Ilex cornuta Ilex cornuta Medicinal Plant
BXGF03601 Maclura cochinchinensis Maclura cochinchinensis 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