Showing entry for [(3Ar,4S,6Z,9E,11S,11Ar)-11-Hydroxy-6,10-Dimethyl-3-Methylidene-2,8-Dioxo-4,5,11,11A-Tetrahydro-3Ah-Cyclodeca[B]Furan-4-Yl] (E)-2-Methylbut-2-Enoate


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0039520
Compound Name[(3Ar,4S,6Z,9E,11S,11Ar)-11-Hydroxy-6,10-Dimethyl-3-Methylidene-2,8-Dioxo-4,5,11,11A-Tetrahydro-3Ah-Cyclodeca[B]Furan-4-Yl] (E)-2-Methylbut-2-Enoate
Structure
FormulaC20H24O6
InchiKeyVUURQISRHJCAJY-HVQYRQBMSA-N
SMILESC/C=C(/C(=O)O[C@H]1C/C(=C\C(=O)/C=C(/[C@@H]([C@H]2[C@@H]1C(=C)C(=O)O2)O)\C)/C)\C
InchiInChI=1S/C20H24O6/c1-6-11(3)19(23)25-15-8-10(2)7-14(21)9-12(4)17(22)18-16(15)13(5)20(24)26-18/h6-7,9,15-18,22H,5,8H2,1-4H3/b10-7-,11-6+,12-9+/t15-,16+,17-,18+/m0/s1
IUPAC[(3aR,4S,6Z,9E,11S,11aR)-11-hydroxy-6,10-dimethyl-3-methylidene-2,8-dioxo-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate
Molecular Weight360.16
Pubchem Id56642940
Chembl IdCHEMBL1992486
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 CHEMBL1992486
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
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 14125 nM
O75030 BXGT005096 Microphthalmia-associated transcription factor reviewed - MITF AC50 '=' 7072 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 25118 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 7079 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 11220 nM
O75030 BXGT005096 Microphthalmia-associated transcription factor reviewed - MITF AC50 '=' 6407 nM
P51151 BXGT010837 Ras-related protein Rab-9A reviewed - RAB9A Potency '=' 3162 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 3162 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 7079 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 17782 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 20596 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 730 nM
O15118 BXGT004127 NPC intracellular cholesterol transporter 1 reviewed Transporter NPC1 Potency '=' 3981 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 20596 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 100000 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 12589 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 31622 nM
Q8IUX4 BXGT018337 DNA dC->dU-editing enzyme APOBEC-3F reviewed Enzyme APOBEC3F Potency - 3144 nM
Q06710 BXGT012887 Paired box protein Pax-8 reviewed - PAX8 AC50 '=' 4030 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 29081 nM
Q962Y6 BXGT019597 Thioredoxin glutathione reductase unreviewed - TGR Potency '=' 5623 nM
Q9HC16 BXGT020525 DNA dC->dU-editing enzyme APOBEC-3G reviewed Enzyme APOBEC3G Potency - 15757 nM
Q9HC16 BXGT020525 DNA dC->dU-editing enzyme APOBEC-3G reviewed Enzyme APOBEC3G Potency - 3162 nM
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 Potency - 631 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 3162 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 10000 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 56234 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 1458 nM
P42858 BXGT010341 Huntingtin reviewed - HTT Potency '=' 5623 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 354 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 5011 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 2059 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF05244 Elephantopus mollis Elephantopus mollis 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