Showing entry for 4-Hydroxyderricin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0001076
Compound Name4-Hydroxyderricin
Structure
FormulaC21H22O4
InchiKeyXDKYBPGIBVMHHB-KPKJPENVSA-N
SMILESCOC1=CC=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C1CC=C(C)C
InchiInChI=1S/C21H22O4/c1-14(2)4-10-18-20(25-3)13-11-17(21(18)24)19(23)12-7-15-5-8-16(22)9-6-15/h4-9,11-13,22,24H,10H2,1-3H3/b12-7+
IUPAC(2E)-1-[2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Molecular Weight338.4
Pubchem Id6438503
Chembl IdCHEMBL458094
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 50352809
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 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed PTPN1 - 2.5 - -
reviewed BXGT020791 Neuraminidase reviewed NA - 42100 - -
reviewed BXGT020791 Neuraminidase reviewed NA 50200 - - -
CHEMBL CHEMBL458094
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
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 22387 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 35481 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 14125 nM
P19357 BXGT008475 Solute carrier family 2, facilitated glucose transporter member 4 reviewed - Slc2a4 Ratio '=' 1 -
Q9IGQ6 BXGT020791 Neuraminidase reviewed - NA Ki '=' 50200 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 12995 nM
Q9IGQ6 BXGT020791 Neuraminidase reviewed - NA IC50 '=' 42100 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 3981 nM
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Potency - 35481 nM
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 17782 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 50118 nM
P01215 BXGT005743 Glycoprotein hormones alpha chain reviewed - CGA Potency - 28183 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 11220 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 11220 nM
P10520 BXGT007576 Streptokinase A reviewed - ska EC50 '=' 2140 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 23109 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 15848 nM
Q77YF9 BXGT016886 Protein Vpr unreviewed - vpr Potency - 56234 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 35481 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 44668 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 7943 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 17782 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 Inhibition '=' 86 %
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 39810 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 33807 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 11220 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 2 ug.mL-1
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 25118 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 35481 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 29092 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 16360 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 89125 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 89125 nM
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
BXGF05603 Angelica archangelica Angelica archangelica 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