Showing entry for Salvianolic Acid A


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0043374
Compound NameSalvianolic Acid A
Structure
FormulaC26H22O10
InchiKeyYMGFTDKNIWPMGF-UCPJVGPRSA-N
SMILESO=C(O[C@@H](C(=O)O)Cc1ccc(c(c1)O)O)/C=C/c1ccc(c(c1/C=C/c1ccc(c(c1)O)O)O)O
InchiInChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1
IUPAC(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxypropanoic acid
Molecular Weight494.12
Pubchem Id5281793
Chembl IdCHEMBL457077
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 50414250
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 BXGT005689 Carbonic anhydrase 1 reviewed CA1 >10000 - - -
reviewed BXGT005690 Carbonic anhydrase 2 reviewed CA2 9594 - - -
reviewed BXGT008802 Carbonic anhydrase 4 reviewed CA4 67 - - -
reviewed BXGT010364 Carbonic anhydrase 7 reviewed CA7 71 - - -
reviewed BXGT004601 Carbonic anhydrase 12 reviewed CA12 40 - - -
reviewed BXGT007859 Proto-oncogene tyrosine-protein kinase Src reviewed Kinase SRC - 36200 - -
reviewed BXGT006427 Tyrosine-protein kinase Lck reviewed Kinase LCK - 23500 - -
CHEMBL CHEMBL457077
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
P40763 BXGT010202 Signal transducer and activator of transcription 3 reviewed Nucleic acid binding STAT3 Inhibition '=' 32 %
P51692 BXGT010885 Signal transducer and activator of transcription 5B reviewed Nucleic acid binding STAT5B Inhibition '=' 30 %
O43570 BXGT004601 Carbonic anhydrase 12 reviewed - CA12 Ki '=' 39 nM
P12931 BXGT007859 Proto-oncogene tyrosine-protein kinase Src reviewed Kinase SRC IC50 '=' 36200 nM
P22002 BXGT008717 Voltage-dependent L-type calcium channel subunit alpha-1C reviewed - Cacna1c IC50 '=' 38300 nM
P06239 BXGT006427 Tyrosine-protein kinase Lck reviewed Kinase LCK IC50 '=' 23500 nM
P42224 BXGT010286 Signal transducer and activator of transcription 1-alpha/beta reviewed Nucleic acid binding STAT1 Inhibition '=' 41 %
P00918 BXGT005690 Carbonic anhydrase 2 reviewed - CA2 Ki '=' 9594 nM
P22748 BXGT008802 Carbonic anhydrase 4 reviewed - CA4 Ki '=' 66 nM
P43166 BXGT010364 Carbonic anhydrase 7 reviewed - CA7 Ki '=' 71 nM
P00915 BXGT005689 Carbonic anhydrase 1 reviewed - CA1 Ki '>' 10000 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
BXGF05526 Salvia miltiorrhiza Salvia miltiorrhiza 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