Showing entry for Hematoxylin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0044285
Compound NameHematoxylin
Structure
FormulaC16H14O6
InchiKeyWZUVPPKBWHMQCE-XJKSGUPXSA-N
SMILESOc1cc2C[C@@]3([C@H](c2cc1O)c1ccc(c(c1OC3)O)O)O
InchiInChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/m0/s1
IUPAC(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol
Molecular Weight302.08
Pubchem Id442514
Chembl IdCHEMBL477197
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 50263183
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 - 3439.263637 - -
reviewed BXGT009775 Mannose-6-phosphate isomerase reviewed Enzyme MPI - 26374 - -
reviewed BXGT008148 Intestinal-type alkaline phosphatase 1 reviewed Alpi - - - 62100
reviewed BXGT006942 Intestinal-type alkaline phosphatase reviewed Enzyme ALPI - - - 50000
reviewed BXGT007603 Alkaline phosphatase, germ cell type reviewed Enzyme ALPG - - - 60400
reviewed BXGT006338 Alkaline phosphatase, tissue-nonspecific isozyme reviewed Enzyme ALPL - - - 85700
reviewed BXGT007701 Glucose-6-phosphate 1-dehydrogenase reviewed Enzyme G6PD - 66500 - -
reviewed BXGT007859 Proto-oncogene tyrosine-protein kinase Src reviewed Kinase SRC - 440 - -
reviewed BXGT006794 Hepatocyte growth factor receptor reviewed Kinase MET - 400 - -
reviewed BXGT007693 Fibroblast growth factor receptor 1 reviewed Kinase FGFR1 - 320 - -
reviewed BXGT006238 Receptor tyrosine-protein kinase erbB-2 reviewed Kinase ERBB2 - 960 - -
reviewed BXGT009887 Vascular endothelial growth factor receptor 2 reviewed Kinase KDR - 2100 - -
reviewed BXGT008358 Vascular endothelial growth factor receptor 1 reviewed Kinase FLT1 - 2900 - -
reviewed BXGT005575 Epidermal growth factor receptor reviewed Kinase EGFR - 3400 - -
reviewed BXGT007605 Mast/stem cell growth factor receptor Kit reviewed Kinase KIT - 2700 - -
reviewed BXGT009334 Ephrin type-B receptor 2 reviewed Kinase EPHB2 - >10000 - -
CHEMBL CHEMBL477197
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
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 15848 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 44668 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 1584 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 91 %
P08581 BXGT006794 Hepatocyte growth factor receptor reviewed Kinase MET Inhibition '=' 100 %
P29323 BXGT009334 Ephrin type-B receptor 2 reviewed Kinase EPHB2 IC50 '>' 10000 nM
P04626 BXGT006238 Receptor tyrosine-protein kinase erbB-2 reviewed Kinase ERBB2 Activity - - -
P08581 BXGT006794 Hepatocyte growth factor receptor reviewed Kinase MET IC50 '=' 400 nM
P21802 BXGT008691 Fibroblast growth factor receptor 2 reviewed Kinase FGFR2 Inhibition '=' 73 %
P35968 BXGT009887 Vascular endothelial growth factor receptor 2 reviewed Kinase KDR IC50 '=' 2100 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 14091 nM
P49023 BXGT010672 Paxillin reviewed Cellular structure PXN Activity - - -
P12931 BXGT007859 Proto-oncogene tyrosine-protein kinase Src reviewed Kinase SRC Activity - - -
P11362 BXGT007693 Fibroblast growth factor receptor 1 reviewed Kinase FGFR1 Inhibition '=' 100 %
P12931 BXGT007859 Proto-oncogene tyrosine-protein kinase Src reviewed Kinase SRC IC50 '=' 440 nM
P29323 BXGT009334 Ephrin type-B receptor 2 reviewed Kinase EPHB2 Inhibition '=' 44 %
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 88 %
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 14125 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 14125 nM
P12931 BXGT007859 Proto-oncogene tyrosine-protein kinase Src reviewed Kinase SRC Inhibition '=' 95 %
P10721 BXGT007605 Mast/stem cell growth factor receptor Kit reviewed Kinase KIT Inhibition '=' 97 %
P11362 BXGT007693 Fibroblast growth factor receptor 1 reviewed Kinase FGFR1 IC50 '=' 320 nM
P04626 BXGT006238 Receptor tyrosine-protein kinase erbB-2 reviewed Kinase ERBB2 IC50 '=' 960 nM
P17948 BXGT008358 Vascular endothelial growth factor receptor 1 reviewed Kinase FLT1 IC50 '=' 2900 nM
P00533 BXGT005575 Epidermal growth factor receptor reviewed Kinase EGFR IC50 '=' 3400 nM
P04626 BXGT006238 Receptor tyrosine-protein kinase erbB-2 reviewed Kinase ERBB2 Inhibition '=' 97 %
P00533 BXGT005575 Epidermal growth factor receptor reviewed Kinase EGFR Inhibition '=' 92 %
P35968 BXGT009887 Vascular endothelial growth factor receptor 2 reviewed Kinase KDR Inhibition '=' 99 %
P17948 BXGT008358 Vascular endothelial growth factor receptor 1 reviewed Kinase FLT1 Inhibition '=' 79 %
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 39810 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 11220 nM
P10721 BXGT007605 Mast/stem cell growth factor receptor Kit reviewed Kinase KIT IC50 '=' 2700 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 31622 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 12589 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency - 1778 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 12589 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 31622 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 31622 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 3162 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF04923 Caesalpinia sappan Caesalpinia sappan 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