Showing entry for blumenol B


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0013916
Compound Nameblumenol B
Structure
FormulaC13H22O3
InchiKeyCWOFGGNDZOPNFG-ZWNOBZJWSA-N
SMILESC[C@H](CC[C@@]1(O)C(=CC(=O)CC1(C)C)C)O
InchiInChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h7,10,14,16H,5-6,8H2,1-4H3/t10-,13-/m1/s1
IUPAC(4S)-4-hydroxy-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one
Molecular Weight226.16
Pubchem Id14135402
Chembl IdCHEMBL444659
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 CHEMBL444659
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
Q05769 BXGT012834 Prostaglandin G/H synthase 2 reviewed - Ptgs2 Activity - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01265 Macaranga tanarius Macaranga tanarius Medicinal Plant
BXGF01306 Swartzia madagascariensis Swartzia madagascariensis Medicinal Plant
BXGF01978 Jacobaea adonidifolia Jacobaea adonidifolia Others
BXGF04950 Vitex pinnata Vitex pinnata Medicinal Plant
BXGF05092 Elaeocarpus fuscoides Elaeocarpus fuscoides Others
BXGF05447 Calodendrum capense Calodendrum capense Medicinal Plant
BXGF05479 Stevia purpurea Stevia purpurea Others
BXGF05624 Croton caudatus Croton caudatus Medicinal Plant
BXGF05781 Oxera splendida Oxera splendida Others
BXGF06046 Meconopsis horridula Meconopsis horridula 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