Showing entry for Dihydrocapsaicin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0009649
Compound NameDihydrocapsaicin
Structure
FormulaC18H29NO3
InchiKeyXJQPQKLURWNAAH-UHFFFAOYSA-N
SMILESCOC1=C(O)C=CC(CNC(=O)CCCCCCC(C)C)=C1
InchiInChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)
IUPACN-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide
Molecular Weight307.43
Pubchem Id107982
Chembl IdCHEMBL311158
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 50231198
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 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed Trpv1 - - - 190
CHEMBL CHEMBL311158
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
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 '=' 12589 nM
P04062 BXGT006140 Lysosomal acid glucosylceramidase reviewed - GBA Potency - 39810 nM
Q6W5P4 BXGT016588 Neuropeptide S receptor reviewed - NPSR1 Potency '=' 12589 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 25118 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 6513 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 89125 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 '=' 10000 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 35481 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 70794 nM
Q60641 BXGT015992 Bile acid receptor reviewed - Nr1h4 Activity - - -
P28700 BXGT009286 Retinoic acid receptor RXR-alpha reviewed - Rxra Activity - - -
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 12589 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 12589 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 35481 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 56234 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 22387 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 '=' 12589 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 '=' 2511 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 39810 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 39810 nM
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 31622 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 23109 nM
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 Potency - 35481 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Potency '=' 39810 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 '=' 39810 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Potency '=' 2511 nM
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency '=' 39810 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Potency '=' 10000 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 39810 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Potency '=' 10000 nM
P15917 BXGT008169 Lethal factor reviewed - lef Potency '=' 12589 nM
Q99549 BXGT019932 M-phase phosphoprotein 8 reviewed Epigenetic regulator MPHOSPH8 Potency - 158 nM
O35433 BXGT004528 Transient receptor potential cation channel subfamily V member 1 reviewed - Trpv1 EC50 '=' 190 nM
Q9WUD2 BXGT021939 Transient receptor potential cation channel subfamily V member 2 reviewed - Trpv2 EC50 '=' 190 nM
Q9ERZ8 BXGT020313 Transient receptor potential cation channel subfamily V member 4 reviewed - Trpv4 EC50 '=' 190 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 26608 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Potency '=' 31622 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 79432 nM
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 25118 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 31622 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 17782 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 22387 nM
Q01453 BXGT012588 Peripheral myelin protein 22 reviewed Cellular structure PMP22 Potency '=' 19011 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 39810 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Potency - 1032 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 23109 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 10000 nM
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 112201 nM
Q8NER1 BXGT018556 Transient receptor potential cation channel subfamily V member 1 reviewed Ion channel TRPV1 Ratio '=' 1 -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00040 Pepper (C. annuum) Capsicum annuum Vegetables
BXGF00393 Pepper (C. frutescens) Capsicum annuum var. annuum Vegetables
BXGF00829 Green bell pepper Capsicum annuum Vegetables
BXGF00830 Yellow bell pepper Capsicum annuum Vegetables
BXGF00831 Orange bell pepper Capsicum annuum Vegetables
BXGF00832 Red bell pepper Capsicum annuum Vegetables
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