Showing entry for (-)-cis-Rotenolone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0006080
Compound Name(-)-cis-Rotenolone
Structure
FormulaC23H22O7
InchiKeyJFVKWCYZKMUTLH-AYPBNUJASA-N
SMILES[H][C@@]12COC3=C(C=C(OC)C(OC)=C3)[C@]1(O)C(=O)C1=CC=C3O[C@H](CC3=C1O2)C(C)=C
InchiInChI=1S/C23H22O7/c1-11(2)16-7-13-15(29-16)6-5-12-21(13)30-20-10-28-17-9-19(27-4)18(26-3)8-14(17)23(20,25)22(12)24/h5-6,8-9,16,20,25H,1,7,10H2,2-4H3/t16-,20-,23-/m1/s1
IUPAC(1R,6R,13R)-13-hydroxy-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.03,11.0?,?.01?,1?]henicosa-3,8,10,14(19),15,17-hexaen-12-one
Molecular Weight410.42
Pubchem Id68184
Chembl IdCHEMBL240545
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 CHEMBL240545
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
Q9WKE8 BXGT021921 Reverse transcriptase unreviewed - reverse IC50 '>' 200 ug.mL-1
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00468 Jicama Pachyrhizus erosus Vegetables
BXGF00819 Pulses Pulses
BXGF01471 Cordia americana Cordia americana Others
BXGF01788 Patrinia scabra Patrinia scabra Medicinal Plant
BXGF03532 Indigofera spicata Indigofera spicata Medicinal Plant
BXGF04150 Erycibe expansa Erycibe expansa Medicinal Plant
BXGF04298 Pedicularis semitorta Pedicularis semitorta Others
BXGF05032 derris malaccensis plain derris malaccensis plain Others
BXGF05172 Scopolia japonica Scopolia japonica Medicinal Plant
BXGF05450 Achillea cretica Achillea cretica Others
BXGF05528 Glycosmis montana Glycosmis montana Medicinal Plant
BXGF05594 Eupatorium riparium Eupatorium riparium Medicinal Plant
BXGF05633 Pongamiopsis pervilleana Pongamiopsis pervilleana Others
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