Showing entry for Xanthoangelol B


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0001080
Compound NameXanthoangelol B
Structure
FormulaC25H28O5
InchiKeyNCHZAFAGBAEJJJ-BAYITLGHSA-N
SMILESCC(=C)C(O)CC\C(C)=C\CC1=C(O)C=CC(C(=O)\C=C\C2=CC=C(O)C=C2)=C1O
InchiInChI=1S/C25H28O5/c1-16(2)22(27)13-5-17(3)4-11-20-24(29)15-12-21(25(20)30)23(28)14-8-18-6-9-19(26)10-7-18/h4,6-10,12,14-15,22,26-27,29-30H,1,5,11,13H2,2-3H3/b14-8+,17-4+
IUPAC(2E)-1-{2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]phenyl}-3-(4-hydroxyphenyl)prop-2-en-1-one
Molecular Weight408.49
Pubchem Id10409180
Chembl IdCHEMBL494082
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 76798
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 BXGT010317 Caspase-3 reviewed Enzyme CASP3 - 28100 - -
reviewed BXGT019693 Sentrin-specific protease 8 reviewed SENP8 - 5080 - -
reviewed BXGT020423 Sentrin-specific protease 6 reviewed Enzyme SENP6 - 4220 - -
reviewed BXGT020791 Neuraminidase reviewed NA - 22500 - -
reviewed BXGT020791 Neuraminidase reviewed NA 20700 - - -
CHEMBL CHEMBL494082
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
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 20596 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 20596 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 17782 nM
P42574 BXGT010317 Caspase-3 reviewed Enzyme CASP3 IC50 '=' 28100 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 14125 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 29081 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 28183 nM
Q96LD8 BXGT019693 Sentrin-specific protease 8 reviewed - SENP8 IC50 '=' 5080 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 14125 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 11220 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 25118 nM
Q77YF9 BXGT016886 Protein Vpr unreviewed - vpr Potency - 56234 nM
Q9GZR1 BXGT020423 Sentrin-specific protease 6 reviewed Enzyme SENP6 IC50 '=' 4220 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 92 nM
Q9IGQ6 BXGT020791 Neuraminidase reviewed - NA IC50 '=' 22500 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 31622 nM
Q9BQF6 BXGT020111 Sentrin-specific protease 7 reviewed Enzyme SENP7 IC50 '=' 3390 nM
Q9IGQ6 BXGT020791 Neuraminidase reviewed - NA Ki '=' 20700 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 44668 nM
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 89125 nM
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 19952 nM
Q2G2U1 BXGT026133 Histidine protein kinase SaeS reviewed - saeS IC50 '=' 220000 nM
O07911 BXGT026152 AgrC unreviewed - agrC IC50 '=' 339000 nM
Q2G2U1 BXGT026133 Histidine protein kinase SaeS reviewed - saeS Kd '=' 40000 nM
Q2G2U1 BXGT026133 Histidine protein kinase SaeS reviewed - saeS Inhibition - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00001 Angelica Angelica keiskei Herbs and Spices
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