Showing entry for dihydroisotanshinone ii


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0018441
Compound Namedihydroisotanshinone ii
Structure
FormulaC18H14O3
InchiKeyKWKITVVBQQLHBB-SNVBAGLBSA-N
SMILESC[C@@H]1COC2=C1C(=O)C(=O)c1c2c2cccc(c2cc1)C
InchiInChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)18-14(10(2)8-21-18)17(20)16(13)19/h3-7,10H,8H2,1-2H3/t10-/m1/s1
IUPAC(3S)-3,8-dimethyl-2,3-dihydronaphtho[2,1-g][1]benzofuran-4,5-dione
Molecular Weight278.09
Pubchem Id44425164
Chembl IdCHEMBL227128
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 n.a
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
CHEMBL CHEMBL227128
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
Q99814 BXGT019965 Endothelial PAS domain-containing protein 1 reviewed Transcription factor EPAS1 IC50 '>' 20000 nM
Q16665 BXGT013653 Hypoxia-inducible factor 1-alpha reviewed Transcription factor HIF1A IC50 '>' 20000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01040 Euphorbia sancta Euphorbia sancta Others
BXGF01156 Senecio madagascariensis Senecio madagascariensis Human Edible Plant
BXGF01243 Asphodeline tenuior Asphodeline tenuior Others
BXGF01277 Glycyrrhiza triphylla Glycyrrhiza triphylla Others
BXGF01553 Iris hoogiana Iris hoogiana Others
BXGF01801 Bothriocline longipes Bothriocline longipes Medicinal Plant
BXGF02830 Amaranthus hybr Amaranthus hybr Medicinal Plant
BXGF04578 Metzgeria pubescens Metzgeria pubescens Others
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