Showing entry for 8-Deoxylactucin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0035783
Compound Name8-Deoxylactucin
Structure
FormulaC15H16O4
InchiKeyNIYXMGSLECQTQT-BPNCWPANSA-N
SMILESOCC1=CC(=O)C2=C(C)CC[C@@H]3[C@@H]([C@@H]12)OC(=O)C3=C
InchiInChI=1S/C15H16O4/c1-7-3-4-10-8(2)15(18)19-14(10)13-9(6-16)5-11(17)12(7)13/h5,10,13-14,16H,2-4,6H2,1H3/t10-,13-,14-/m0/s1
IUPAC(3aS,9aS,9bS)-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
Molecular Weight260.1
Pubchem Id442196
Chembl IdCHEMBL365239
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 CHEMBL365239
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 '=' 50 uM
P19838 BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 IC100 '=' 50 uM
Q00653 BXGT012541 Nuclear factor NF-kappa-B p100 subunit reviewed Transcription factor NFKB2 IC100 '=' 50 uM
Q04206 BXGT012754 Transcription factor p65 reviewed Transcription factor RELA pIC100 '=' -1 -
P19838 BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 pIC100 '=' -1 -
Q00653 BXGT012541 Nuclear factor NF-kappa-B p100 subunit reviewed Transcription factor NFKB2 pIC100 '=' -1 -
Q04206 BXGT012754 Transcription factor p65 reviewed Transcription factor RELA IC100 '=' 50 uM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00049 Chicory Cichorium intybus Vegetables
BXGF01545 Balanophora harlandii Balanophora harlandii Others
BXGF01979 Cephalotaxus hainanensis Cephalotaxus hainanensis Others
BXGF02377 Cichorium glandulosum Cichorium glandulosum Others
BXGF02493 Polemonium caeruleum Polemonium caeruleum Medicinal Plant
BXGF02791 Cephalotaxus fortunei Cephalotaxus fortunei Medicinal Plant
BXGF03307 Strychnos ledermannii Strychnos ledermannii Others
BXGF03838 Euphorbia biglandulosa Euphorbia biglandulosa Others
BXGF04902 Lupinus cosentinii Lupinus cosentinii Others
BXGF05070 Asteraceae Asteraceae Others
BXGF05359 Viburnum davidii Viburnum davidii Others
BXGF05400 Agathosma scaberula Agathosma scaberula Others
BXGF05896 Lactuca serriola Lactuca serriola 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