Showing entry for Nonacosan-8-one


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0001327
Compound NameNonacosan-8-one
Structure
FormulaC10H15NO
InchiKeyNEGYEDYHPHMHGK-UHFFFAOYSA-N
SMILESCOC1=CC=C(CC(C)N)C=C1
InchiInChI=1S/C10H15NO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3
IUPAC1-(4-methoxyphenyl)propan-2-amine
Molecular Weight165.23
Pubchem Id31721
Chembl IdCHEMBL278663
Targets of Information Source
DrugBank DB01472
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
Q01959 BXGT012624 Sodium-dependent dopamine transporter reviewed Transporter SLC6A3 experimental; illicit inhibitor
P31645 BXGT009558 Sodium-dependent serotonin transporter reviewed Transporter SLC6A4 experimental; illicit inhibitor
Q05940 BXGT012846 Synaptic vesicular amine transporter reviewed Transporter SLC18A2 experimental; illicit inhibitor
P35348 BXGT009814 Alpha-1A adrenergic receptor reviewed G-protein coupled receptor ADRA1A experimental; illicit agonist
P08913 BXGT006841 Alpha-2A adrenergic receptor reviewed G-protein coupled receptor ADRA2A experimental; illicit agonist
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA experimental; illicit inhibitor
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB experimental; illicit inhibitor
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 50024209
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 BXGT008643 Amine oxidase [flavin-containing] A reviewed Maoa - 300 - -
reviewed BXGT009565 Sodium-dependent serotonin transporter reviewed Slc6a4 - 173 - -
reviewed BXGT008472 5-hydroxytryptamine receptor 1A reviewed Htr1a 79400 - - -
reviewed BXGT008059 5-hydroxytryptamine receptor 2A reviewed Htr2a 33600 - - -
reviewed BXGT008643 Amine oxidase [flavin-containing] A reviewed Maoa 250 - - -
reviewed BXGT009493 5-hydroxytryptamine receptor 2B reviewed Htr2b - - 6918.31 -
CHEMBL CHEMBL278663
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
P21396 BXGT008643 Amine oxidase [flavin-containing] A reviewed - Maoa Ki '=' 250 nM
P28565 BXGT009273 5-hydroxytryptamine receptor 1D reviewed - Htr1d Ki '=' 79400 nM
P19327 BXGT008472 5-hydroxytryptamine receptor 1A reviewed - Htr1a Ki '=' 79400 nM
P30940 BXGT009484 5-hydroxytryptamine receptor 1F reviewed - Htr1f Ki '=' 79400 nM
P28564 BXGT009272 5-hydroxytryptamine receptor 1B reviewed - Htr1b Ki '=' 79400 nM
P30994 BXGT009493 5-hydroxytryptamine receptor 2B reviewed - Htr2b Kd '=' 6918 nM
P28565 BXGT009273 5-hydroxytryptamine receptor 1D reviewed - Htr1d Kd '=' 7079 nM
P19327 BXGT008472 5-hydroxytryptamine receptor 1A reviewed - Htr1a Kd '=' 7079 nM
P35364 BXGT009819 5-hydroxytryptamine receptor 5A reviewed - Htr5a Kd '=' 7079 nM
P30940 BXGT009484 5-hydroxytryptamine receptor 1F reviewed - Htr1f Kd '=' 7079 nM
P14842 BXGT008059 5-hydroxytryptamine receptor 2A reviewed - Htr2a Kd '=' 7079 nM
P08909 BXGT006838 5-hydroxytryptamine receptor 2C reviewed - Htr2c Kd '=' 7079 nM
Q62758 BXGT016041 5-hydroxytryptamine receptor 4 reviewed - Htr4 Kd '=' 7079 nM
P30994 BXGT009493 5-hydroxytryptamine receptor 2B reviewed - Htr2b Kd '=' 7079 nM
P28564 BXGT009272 5-hydroxytryptamine receptor 1B reviewed - Htr1b Kd '=' 7079 nM
Q9JJ16 BXGT020824 5-hydroxytryptamine receptor 3B reviewed - Htr3b Kd '=' 7079 nM
P31388 BXGT009532 5-hydroxytryptamine receptor 6 reviewed - Htr6 Kd '=' 7079 nM
P32305 BXGT009621 5-hydroxytryptamine receptor 7 reviewed - Htr7 Kd '=' 7079 nM
P35365 BXGT009820 5-hydroxytryptamine receptor 5B reviewed - Htr5b Kd '=' 7079 nM
P35563 BXGT009849 5-hydroxytryptamine receptor 3A reviewed - Htr3a Kd '=' 7079 nM
P19643 BXGT008505 Amine oxidase [flavin-containing] B reviewed - Maob Ki - - -
P31645 BXGT009558 Sodium-dependent serotonin transporter reviewed Transporter SLC6A4 EC50 '=' 1071519 nM
P31645 BXGT009558 Sodium-dependent serotonin transporter reviewed Transporter SLC6A4 EC50 '=' 32359 nM
P14842 BXGT008059 5-hydroxytryptamine receptor 2A reviewed - Htr2a Ki '=' 33600 nM
P08909 BXGT006838 5-hydroxytryptamine receptor 2C reviewed - Htr2c Ki '=' 33600 nM
P30994 BXGT009493 5-hydroxytryptamine receptor 2B reviewed - Htr2b Ki '=' 33600 nM
P31652 BXGT009565 Sodium-dependent serotonin transporter reviewed - Slc6a4 IC50 '=' 173 nM
P21396 BXGT008643 Amine oxidase [flavin-containing] A reviewed - Maoa IC50 '=' 300 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00175 Potato Solanum tuberosum Vegetables
BXGF00183 Common thyme Thymus vulgaris Herbs and Spices
BXGF01506 Thymus quinquecostatus Thymus quinquecostatus 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