Showing entry for 3-Oxoeudesma-1,11(13)-Dieno-12,6Alpha-Lactone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0028507
Compound Name3-Oxoeudesma-1,11(13)-Dieno-12,6Alpha-Lactone
Structure
FormulaC15H18O3
InchiKeyFMWJLZZXAZJJIY-OLNSGIQNSA-N
SMILESO=C1C=C[C@]2([C@H]([C@@H]1C)[C@H]1OC(=O)C(=C)[C@@H]1CC2)C
InchiInChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7,9-10,12-13H,1,4,6H2,2-3H3/t9-,10+,12-,13+,15+/m1/s1
IUPAC(3aS,5aS,9S,9aS,9bS)-5a,9-dimethyl-3-methylidene-3a,4,5,9,9a,9b-hexahydrobenzo[g][1]benzofuran-2,8-dione
Molecular Weight246.13
Pubchem Id325139
Chembl IdCHEMBL1940084
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 CHEMBL1940084
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
P25963 BXGT009080 NF-kappa-B inhibitor alpha reviewed - NFKBIA Inhibition - - -
Q04206 BXGT012754 Transcription factor p65 reviewed Transcription factor RELA Inhibition - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF03111 Mosla dianthera Mosla dianthera 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