Showing entry for Valerenic Acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0051342
Compound NameValerenic Acid
Structure
FormulaC15H22O2
InchiKeyFEBNTWHYQKGEIQ-SUKRRCERSA-N
SMILESC[C@@H]1CC[C@H](C2=C(CC[C@H]12)C)/C=C(/C(=O)O)\C
InchiInChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8+/t9-,12+,13-/m1/s1
IUPAC(E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
Molecular Weight234.16
Pubchem Id6440940
Chembl IdCHEMBL1545045
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 CHEMBL1545045
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
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD Potency - 31622 nM
P19793 BXGT008515 Retinoic acid receptor RXR-alpha reviewed Nuclear receptor RXRA Potency - 10000 nM
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency '=' 39810 nM
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD Potency - 35481 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 17782 nM
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG Activity - - -
P04150 BXGT006154 Glucocorticoid receptor reviewed Nuclear receptor NR3C1 Potency - 0 nM
P10826 BXGT007622 Retinoic acid receptor beta reviewed Nuclear receptor RARB Activity - - -
P28702 BXGT009287 Retinoic acid receptor RXR-beta reviewed Nuclear receptor RXRB Activity - - -
P10145 BXGT007542 Interleukin-8 reviewed Signaling CXCL8 Potency - 74978 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 74978 nM
P51449 BXGT010846 Nuclear receptor ROR-gamma reviewed Nuclear receptor RORC Potency - 37578 nM
P48443 BXGT010631 Retinoic acid receptor RXR-gamma reviewed Nuclear receptor RXRG EC50 '=' 43000 nM
O75469 BXGT005128 Nuclear receptor subfamily 1 group I member 2 reviewed Nuclear receptor NR1I2 Activity - - -
Q07869 BXGT012945 Peroxisome proliferator-activated receptor alpha reviewed Nuclear receptor PPARA Activity - - -
P19793 BXGT008515 Retinoic acid receptor RXR-alpha reviewed Nuclear receptor RXRA Activity - - -
P48443 BXGT010631 Retinoic acid receptor RXR-gamma reviewed Nuclear receptor RXRG Activity - - -
P28702 BXGT009287 Retinoic acid receptor RXR-beta reviewed Nuclear receptor RXRB Activity - - -
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Activity - - -
Q13133 BXGT013315 Oxysterols receptor LXR-alpha reviewed Nuclear receptor NR1H3 Activity - - -
P28702 BXGT009287 Retinoic acid receptor RXR-beta reviewed Nuclear receptor RXRB FC '=' 69 -
P13631 BXGT007929 Retinoic acid receptor gamma reviewed Nuclear receptor RARG Activity - - -
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD Activity - - -
P28702 BXGT009287 Retinoic acid receptor RXR-beta reviewed Nuclear receptor RXRB EC50 '=' 5200 nM
Q96RI1 BXGT019727 Bile acid receptor reviewed Nuclear receptor NR1H4 Activity - - -
P19793 BXGT008515 Retinoic acid receptor RXR-alpha reviewed Nuclear receptor RXRA Activity - - -
P48443 BXGT010631 Retinoic acid receptor RXR-gamma reviewed Nuclear receptor RXRG FC '=' 4 -
P19793 BXGT008515 Retinoic acid receptor RXR-alpha reviewed Nuclear receptor RXRA FC '=' 9 -
P10276 BXGT007553 Retinoic acid receptor alpha reviewed Nuclear receptor RARA Activity - - -
P55055 BXGT011101 Oxysterols receptor LXR-beta reviewed Nuclear receptor NR1H2 Activity - - -
P19793 BXGT008515 Retinoic acid receptor RXR-alpha reviewed Nuclear receptor RXRA EC50 '=' 27000 nM
Q14994 BXGT013519 Nuclear receptor subfamily 1 group I member 3 reviewed Nuclear receptor NR1I3 Activity - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02444 Valeriana officinalis Valeriana officinalis Medicinal Plant
BXGF04360 Valeriana hardwickii Valeriana hardwickii 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