Showing entry for 1,4-Bis[[(E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoyl]Oxy]-3,5-Dihydroxycyclohexane-1-Carboxylic Acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0042256
Compound Name1,4-Bis[[(E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoyl]Oxy]-3,5-Dihydroxycyclohexane-1-Carboxylic Acid
Structure
FormulaC25H24O12
InchiKeyIYXQRCXQQWUFQV-FCXRPNKRSA-N
SMILESO=C(OC1C(O)CC(CC1O)(OC(=O)/C=C/c1ccc(c(c1)O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O
InchiInChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)/b7-3+,8-4+
IUPAC1,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,5-dihydroxycyclohexane-1-carboxylic acid
Molecular Weight516.13
Pubchem Id5316647
Chembl IdCHEMBL1966984
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 87457
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 BXGT005570 Tyrosine-protein kinase ABL1 reviewed Kinase ABL1 - 18897 - -
reviewed BXGT005130 PC4 and SFRS1-interacting protein reviewed Signaling PSIP1 - 3759 - -
reviewed BXGT005130 PC4 and SFRS1-interacting protein reviewed Signaling PSIP1 - 2073 - -
CHEMBL CHEMBL1966984
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 - 22387 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 19952 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 3162 nM
Q13671 BXGT013391 Ras and Rab interactor 1 reviewed Enzyme modulator RIN1 IC50 '=' 18897 nM
P00519 BXGT005570 Tyrosine-protein kinase ABL1 reviewed Kinase ABL1 IC50 '=' 18897 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 8199 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 8199 nM
P62826 BXGT011463 GTP-binding nuclear protein Ran reviewed Enzyme modulator RAN Potency - 8199 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 44668 nM
Q9Y468 BXGT022270 Lethal(3)malignant brain tumor-like protein 1 reviewed Epigenetic regulator L3MBTL1 Potency - 75 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 11220 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 5011 nM
Q27686 BXGT013930 Pyruvate kinase reviewed - PYK Potency '=' 1995 nM
P14618 BXGT008027 Pyruvate kinase PKM reviewed Kinase PKM Potency '=' 4466 nM
P04608 BXGT006236 Protein Tat reviewed - tat IC50 - 85194 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 1412 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 10000 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 10000 nM
Q9Y468 BXGT022270 Lethal(3)malignant brain tumor-like protein 1 reviewed Epigenetic regulator L3MBTL1 Potency '=' 1000 nM
Q57TT1 BXGT015153 Uncharacterized protein unreviewed - Tb927.8.6820 Potency - 31622 nM
Q8I2J3 BXGT018207 M18 aspartyl aminopeptidase unreviewed - PF3D7_0932300 IC50 '=' 1945 nM
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed Enzyme GAA Potency '=' 1764 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 31622 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 23778 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 12589 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 12589 nM
O96028 BXGT005417 Histone-lysine N-methyltransferase NSD2 reviewed Epigenetic regulator NSD2 AC50 '=' 5430 nM
P07711 BXGT006661 Cathepsin L1 reviewed Enzyme CTSL IC50 '>' 59642 nM
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 6309 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00082 Fennel Foeniculum vulgare Herbs and Spices
BXGF02509 Xanthium sibiricum Xanthium sibiricum 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