Showing entry for Totarol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0018071
Compound NameTotarol
Structure
FormulaC20H30O
InchiKeyZRVDANDJSTYELM-FXAWDEMLSA-N
SMILESCC(c1c(O)ccc2c1CC[C@@H]1[C@]2(C)CCCC1(C)C)C
InchiInChI=1S/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3/t17-,20+/m0/s1
IUPAC(4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
Molecular Weight286.23
Pubchem Id92783
Chembl IdCHEMBL487602
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 50392993
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 BXGT012407 Cell division protein FtsZ reviewed ftsZ - - 11000 -
reviewed BXGT008349 Cell division protein FtsZ reviewed ftsZ - 24000 - -
CHEMBL CHEMBL487602
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
P17865 BXGT008349 Cell division protein FtsZ reviewed - ftsZ IC50 '=' 24000 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 131 %
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 29092 nM
P17865 BXGT008349 Cell division protein FtsZ reviewed - ftsZ Inhibition - - -
P0A0J7 BXGT006970 Quinolone resistance protein NorA reviewed - norA FC '=' 4 -
P0A0J7 BXGT006970 Quinolone resistance protein NorA reviewed - norA FC '=' 50 -
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 14125 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 159 %
P0A0J7 BXGT006970 Quinolone resistance protein NorA reviewed - norA Activity - - -
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 35481 nM
P0A0J7 BXGT006970 Quinolone resistance protein NorA reviewed - norA FC '=' 8 -
P0A0J7 BXGT006970 Quinolone resistance protein NorA reviewed - norA IC50 '=' 15000 nM
Q8IL32 BXGT018308 Heat shock protein 90, putative unreviewed - PF3D7_1443900 AC50 '=' 2863 nM
P07900 BXGT006696 Heat shock protein HSP 90-alpha reviewed Chaperone HSP90AA1 AC50 '=' 3791 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 50118 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 44668 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 9200 nM
Q8WZA2 BXGT019025 Rap guanine nucleotide exchange factor 4 reviewed Enzyme modulator RAPGEF4 Potency - 56234 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 39810 nM
P0A031 BXGT006961 Cell division protein FtsZ reviewed - ftsZ MIC '=' 4 ug.mL-1
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 32642 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 10000 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 12995 nM
P9WN95 BXGT012407 Cell division protein FtsZ reviewed - ftsZ Kd '=' 11000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00966 Tristania conferta Tristania conferta Others
BXGF00972 Plectranthus myrianthus Plectranthus myrianthus Others
BXGF01024 Pentaclethra macrophylla Pentaclethra macrophylla Medicinal Plant
BXGF01085 Veronica polita Veronica polita Medicinal Plant
BXGF01183 Glycosmis macrophylla Glycosmis macrophylla Others
BXGF01230 Lithospermum erythrorhizon Lithospermum erythrorhizon Medicinal Plant
BXGF01253 Stephania zippeliana Stephania zippeliana Others
BXGF01329 Eucalyptus apodophylla Eucalyptus apodophylla Medicinal Plant
BXGF01416 Hypericum polyanthemum Hypericum polyanthemum Others
BXGF01418 Distephanus angulifolius Distephanus angulifolius Others
BXGF01480 Periploca sepium Periploca sepium Medicinal Plant
BXGF01548 Campylotropis hirtella Campylotropis hirtella Medicinal Plant
BXGF01767 Uncaria rhynchophylla Uncaria rhynchophylla Medicinal Plant
BXGF02633 Breonia chinensis Breonia chinensis Medicinal Plant
BXGF03518 Mentha cardiaca Mentha cardiaca Others
BXGF03637 Rhodiola semenovii Rhodiola semenovii Others
BXGF05170 Crotalaria candicans Crotalaria candicans Others
BXGF05385 Eria japonica Eria japonica Others
BXGF05427 Salvia sessei Salvia sessei Others
BXGF05466 Juniperus drupacea Juniperus drupacea Medicinal Plant
BXGF05615 Ceropegia dichotoma Ceropegia dichotoma Garden Plant
BXGF05708 Ononis spinosa Ononis spinosa Medicinal Plant
BXGF05903 Crinum moorei Crinum moorei Others
BXGF05913 Eucalyptus globulus subsp. bicostata Eucalyptus globulus subsp. bicostata Medicinal Plant
BXGF06069 Dendrobium loddigesii Dendrobium loddigesii Medicinal Plant
BXGF06119 Gypsophila perfoliata Gypsophila perfoliata Others
BXGF06195 Pterocaulon virgatum Pterocaulon virgatum Medicinal Plant
BXGF06241 Vernonia cistifolia Vernonia cistifolia Others
BXGF06274 Sonneratia caseolaris Sonneratia caseolaris 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