Showing entry for Sclerotiorin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0029721
Compound NameSclerotiorin
Structure
FormulaC21H23ClO5
InchiKeySWJLTKXURNHVHE-UPWXJBBJSA-N
SMILESCC[C@@H](/C=C(/C=C/C1=CC2=C(Cl)C(=O)[C@](C(=O)C2=CO1)(C)OC(=O)C)\C)C
InchiInChI=1S/C21H23ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-26-15)19(24)21(5,27-14(4)23)20(25)18(16)22/h7-12H,6H2,1-5H3/b8-7+,13-9+/t12-,21+/m0/s1
IUPAC[(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisochromen-7-yl] acetate
Molecular Weight390.12
Pubchem Id6436015
Chembl IdCHEMBL1095515
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 CHEMBL1095515
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
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 79432 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 18356 nM
P07900 BXGT006696 Heat shock protein HSP 90-alpha reviewed Chaperone HSP90AA1 AC50 '=' 800 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 79432 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 50118 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 25929 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 4 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 19952 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 44668 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 44668 nM
P62826 BXGT011463 GTP-binding nuclear protein Ran reviewed Enzyme modulator RAN Potency - 44668 nM
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 31622 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 28183 nM
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 50118 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 3 %
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 39810 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 50118 nM
Q14191 BXGT013452 Werner syndrome ATP-dependent helicase reviewed Enzyme WRN Potency - 50118 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 25118 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 6 %
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 70794 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 15848 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 50118 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 50118 nM
Q77YF9 BXGT016886 Protein Vpr unreviewed - vpr Potency - 5623 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 44668 nM
Q8IL32 BXGT018308 Heat shock protein 90, putative unreviewed - PF3D7_1443900 AC50 '=' 2109 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 79432 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 28183 nM
P07378 BXGT006616 Phosphoglycerate kinase, glycosomal reviewed - Potency - 22387 nM
Q8WZA2 BXGT019025 Rap guanine nucleotide exchange factor 4 reviewed Enzyme modulator RAPGEF4 Potency - 8912 nM
P53350 BXGT010984 Serine/threonine-protein kinase PLK1 reviewed Kinase PLK1 Potency - 1062 nM
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Potency - 10000 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 16360 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01658 Rabdosia longituba Rabdosia longituba Others
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