Showing entry for Ecdysone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0003905
Compound NameEcdysone
Structure
FormulaC27H44O6
InchiKeyUPEZCKBFRMILAV-JMZLNJERSA-N
SMILESC[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
InchiInChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1
IUPAC(1R,2R,4S,5R,7R,11S,14R,15R)-14-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-4,5,11-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-8-one
Molecular Weight464.63
Pubchem Id19212
Chembl IdCHEMBL549300
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 CHEMBL549300
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
E5L6Y0 BXGT003128 Ultraspiracle unreviewed - USP Ki '=' 50400 nM
E5L6Y1 BXGT003129 Ecdysone receptor isoform A unreviewed - Ki '=' 50400 nM
E5L6Y0 BXGT003128 Ultraspiracle unreviewed - USP IC50 '=' 60000 nM
E5L6Y1 BXGT003129 Ecdysone receptor isoform A unreviewed - IC50 '=' 60000 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 FICI '=' 4 -
P34021 BXGT009746 Ecdysone receptor reviewed - EcR IC50 '=' 2570 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Ratio '=' 1 -
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 0 %
E5L6Y0 BXGT003128 Ultraspiracle unreviewed - USP Ki '=' 51100 nM
E5L6Y1 BXGT003129 Ecdysone receptor isoform A unreviewed - Ki '=' 51100 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 FICI '=' 2 -
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' -1 %
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 FICI '=' 12 -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00178 Spinach Spinacia oleracea Vegetables
BXGF01009 Dipsacus asper Dipsacus asper Others
BXGF01046 Coutarea latifolia Coutarea latifolia Others
BXGF01090 Rivina humilis Rivina humilis Medicinal Plant
BXGF01171 Duguetia calycina Duguetia calycina Human Edible Plant
BXGF01233 Citrus hassaku Citrus hassaku Others
BXGF01371 Eriostemon spicatus Eriostemon spicatus Others
BXGF01402 Phalaris canariensis Phalaris canariensis Medicinal Plant
BXGF01492 Jacaranda chelonia Jacaranda chelonia Others
BXGF01512 Payena lucida Payena lucida Medicinal Plant
BXGF01538 Pteridium aquilinum Pteridium aquilinum Medicinal Plant
BXGF01544 Crepidiastrum sonchifolium Crepidiastrum sonchifolium Others
BXGF02544 Attalea excelsa Attalea excelsa Others
BXGF04037 Plumbagella micrantha Plumbagella micrantha Medicinal Plant
BXGF04460 Tanacetum parthenifolium Tanacetum parthenifolium Others
BXGF04904 Samadera indica Samadera indica Medicinal Plant
BXGF05518 Hymenothrix wislizenii Hymenothrix wislizenii Others
BXGF05793 Greenwayodendron oliveri Greenwayodendron oliveri Others
BXGF05866 Garcinia pyrifera Garcinia pyrifera Others
BXGF06012 Ophryosporus floribundus Ophryosporus floribundus Others
BXGF06074 Artemisia lactiflora Artemisia lactiflora Medicinal Plant
BXGF06295 Catalpa ovata Catalpa ovata 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