Showing entry for caryophyllene


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0051081
Compound Namecaryophyllene
Structure
FormulaC15H24
InchiKeyNPNUFJAVOOONJE-QWAJQTJBSA-N
SMILESC/C/1=C\CCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C
InchiInChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14+/m0/s1
IUPAC(1R,4E,9R)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
Molecular Weight204.19
Pubchem Id6429274
Chembl Id
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 113763
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
reviewed BXGT008662 Cannabinoid receptor 1 reviewed G-protein coupled receptor CNR1 >1.0e+4 - - -
reviewed BXGT003934 Fatty-acid amide hydrolase 1 reviewed FAAH - >1.0e+4 - -
reviewed BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 - >5.0e+4 - -
CHEMBL n.a
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
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00072 Wild carrot Daucus carota Vegetables
BXGF01132 Gossypium herbaceum Gossypium herbaceum 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