Showing entry for dehydrosaussurealactone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0043396
Compound Namedehydrosaussurealactone
Structure
FormulaC15H20O2
InchiKeyZNTHTBBAGNVESR-SFDCQRBFSA-N
SMILESC=C[C@]1(C)CC[C@@H]2[C@@H]([C@H]1C(=C)C)OC(=O)C2=C
InchiInChI=1S/C15H20O2/c1-6-15(5)8-7-11-10(4)14(16)17-13(11)12(15)9(2)3/h6,11-13H,1-2,4,7-8H2,3,5H3/t11-,12+,13-,15+/m0/s1
IUPAC(3aS,6S,7S,7aS)-6-ethenyl-6-methyl-3-methylidene-7-prop-1-en-2-yl-4,5,7,7a-tetrahydro-3aH-1-benzofuran-2-one
Molecular Weight232.15
Pubchem Id44409528
Chembl IdCHEMBL205002
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 CHEMBL205002
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
Q04206 BXGT012754 Transcription factor p65 reviewed Transcription factor RELA IC100 '=' 100 uM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02914 Michelia alba Michelia alba Medicinal Plant
BXGF04109 Saussurea costus Saussurea costus 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