Showing entry for 3,8''-Biapigenin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0010010
Compound Name3,8''-Biapigenin
Structure
FormulaC30H18O10
InchiKeyIQAMTZLKUHMPPE-UHFFFAOYSA-N
SMILESOC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(=C(O)C=C2O)C1=C(OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=C(O)C=C1
InchiInChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,31-36H
IUPAC8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
Molecular Weight538.46
Pubchem Id10414856
Chembl IdCHEMBL515252
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 50259862
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 BXGT012942 Induced myeloid leukemia cell differentiation protein Mcl-1 reviewed Signaling MCL1 - 2725.539012 - -
reviewed BXGT005130 PC4 and SFRS1-interacting protein reviewed Signaling PSIP1 - 3520 - -
reviewed BXGT005130 PC4 and SFRS1-interacting protein reviewed Signaling PSIP1 - 4232 - -
reviewed BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed PTPN1 4600 - - -
reviewed BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed PTPN1 - 4500 - -
reviewed BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 - 80 - -
CHEMBL CHEMBL515252
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
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 28183 nM
P07378 BXGT006616 Phosphoglycerate kinase, glycosomal reviewed - Potency - 14125 nM
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 56234 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 7079 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 44668 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 31622 nM
P14618 BXGT008027 Pyruvate kinase PKM reviewed Kinase PKM Potency '=' 7943 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 35481 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 7943 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 3162 nM
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 19952 nM
P53350 BXGT010984 Serine/threonine-protein kinase PLK1 reviewed Kinase PLK1 Potency - 23778 nM
P04062 BXGT006140 Lysosomal acid glucosylceramidase reviewed - GBA Potency - 17782 nM
Q07820 BXGT012942 Induced myeloid leukemia cell differentiation protein Mcl-1 reviewed Signaling MCL1 IC50 '=' 2725 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 79432 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency '=' 1995 nM
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 12589 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 IC50 '=' 80 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 50118 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 35481 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 18356 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 50118 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 12589 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 4500 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 44668 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 44668 nM
P35821 BXGT009871 Tyrosine-protein phosphatase non-receptor type 1 reviewed - Ptpn1 FC '=' 1 -
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 15848 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 Inhibition - - -
P63165 BXGT011506 Small ubiquitin-related modifier 1 reviewed - SUMO1 IC50 - 9200 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 42561 nM
P63165 BXGT011506 Small ubiquitin-related modifier 1 reviewed - SUMO1 IC50 - 66600 nM
Q14191 BXGT013452 Werner syndrome ATP-dependent helicase reviewed Enzyme WRN Potency - 56234 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 259 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 15848 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 42284 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 3548 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 794 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 Ki '=' 4600 nM
P35821 BXGT009871 Tyrosine-protein phosphatase non-receptor type 1 reviewed - Ptpn1 Inhibition - - -
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 28183 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00079 Common buckwheat Fagopyrum esculentum Cereals and cereal products
BXGF00810 Cereals and cereal products Cereals and cereal products
BXGF01220 Hypericum scabrum Hypericum scabrum Medicinal Plant
BXGF03260 Garcinia xanthochymus Garcinia xanthochymus Medicinal Plant
BXGF05269 Hypericum perforatum Hypericum perforatum 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