Showing entry for Retinal


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0037666
Compound NameRetinal
Structure
FormulaC20H28O
InchiKeyNCYCYZXNIZJOKI-OVSJKPMPSA-N
SMILESO=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C
InchiInChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
IUPAC(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
Molecular Weight284.21
Pubchem Id638015
Chembl IdCHEMBL81379
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 RET
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
P02945 BXGT005997 Bacteriorhodopsin reviewed bop - - - - -
P0DMH7 BXGT007503 Halorhodopsin reviewed hop - - - - -
P02699 BXGT005925 Rhodopsin reviewed RHO - - - - -
P42196 BXGT010282 Sensory rhodopsin-2 reviewed sop2 - - - - -
P06768 BXGT006503 Retinol-binding protein 2 reviewed Rbp2 - - - 50 -
P69051 BXGT011618 Archaerhodopsin-1 reviewed - - - - -
P29563 BXGT009365 Archaerhodopsin-2 reviewed - - - - -
Q8YSC4 BXGT019138 Bacteriorhodopsin unreviewed alr3165 - - - - -
P29373 BXGT009337 Cellular retinoic acid-binding protein 2 reviewed CRABP2 - - - 120 -
B0R2U4 BXGT001847 Halorhodopsin reviewed hop - - - - -
Q9F7P4 BXGT020352 Green-light absorbing proteorhodopsin reviewed - - - - -
P31356 BXGT009528 Rhodopsin reviewed RHO - - - - -
G1K3Q0 BXGT003432 Rhodopsin-2 unreviewed - - - - -
Q2S2F8 BXGT014172 Xanthorhodopsin unreviewed SRU_1500 - - - - -
P12271 BXGT007786 Retinaldehyde-binding protein 1 reviewed RLBP1 Transporter - - ~10 -
P12271 BXGT007786 Retinaldehyde-binding protein 1 reviewed RLBP1 Transporter - - - -
P15647 BXGT008144 Halorhodopsin reviewed hop - - - - -
N0DKS8 BXGT003872 Sodium pumping rhodopsin unreviewed NaR - - - - -
P50120 BXGT010773 Retinol-binding protein 2 reviewed RBP2 - - - - -
I4DST7 BXGT003687 Deltarhodopsin unreviewed dop - - - - -
B1YFV8 BXGT001933 Rhodopsin unreviewed Exig_1419 - - - - -
P29373 BXGT009337 Cellular retinoic acid-binding protein 2 reviewed CRABP2 - - - - -
Q4PP54 BXGT014855 Proteorhodopsin unreviewed - - - - -
P94854 BXGT012146 Cruxrhodopsin-3 reviewed cop3 - - - - -
Q9AFF7 BXGT020059 Blue-light absorbing proteorhodopsin reviewed - - - - -
Q5UXY6 BXGT015879 Bacteriorhodopsin-I reviewed bop - - - - -
Q18DH8 BXGT013740 Bacteriorhodopsin-I reviewed bop1 - - - - -
G0LFX8 BXGT003372 Bacteriorhodopsin-I reviewed bop1 - - - - -
B0R5N9 BXGT001849 Bacteriorhodopsin unreviewed bop - - - - -
G3CEP6 BXGT003468 Rhodopsin I unreviewed aopI - - - - -
W8VZW3 BXGT022636 Chloride pumping rhodopsin unreviewed ClR - - - - -
L1J207 BXGT003820 Uncharacterized protein unreviewed GUITHDRAFT_111593 - - - - -
G0QG75 BXGT003373 Bacteriorhodopsin unreviewed J07AB43_12860 - - - - -
P96787 BXGT024108 Archaerhodopsin-3 reviewed aop3 - - - - -
I0YUS5 BXGT024118 Family A G protein-coupled receptor-like protein unreviewed COCSUDRAFT_42526 - - - - -
B1B1U5 BXGT024277 Kumopsin1 unreviewed HaRh1 - - - - -
A0A151EDA9 BXGT024367 Uncharacterized protein unreviewed AYK20_03510 - - - - -
Q93VK5 BXGT024454 Protein LUTEIN DEFICIENT 5, chloroplastic reviewed CYP97A3 - - - - -
G8DI69 BXGT024518 Uncharacterized protein unreviewed PGAG_00290 - - - - -
Q1AUE6 BXGT024639 Rhodopsin unreviewed Rxyl_2037 - - - - -
Q7NP59 BXGT025015 Gll0198 protein unreviewed gll0198 - - - - -
F2Y2Z0 BXGT025592 Uncharacterized protein unreviewed 162286292 - - - - -
A0A2R4S913 BXGT025602 Heliorhodopsin unreviewed - - - - -
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 CHEMBL81379
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
P51449 BXGT010846 Nuclear receptor ROR-gamma reviewed Nuclear receptor RORC Potency - 29849 nM
O60218 BXGT004858 Aldo-keto reductase family 1 member B10 reviewed Enzyme AKR1B10 Kcat '=' 2 /min
Q9R1A7 BXGT021413 Nuclear receptor subfamily 1 group I member 2 reviewed - Nr1i2 Potency - 22387 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 42163 nM
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 Km '=' 1100000 nM
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 Potency - 15848 nM
O60218 BXGT004858 Aldo-keto reductase family 1 member B10 reviewed Enzyme AKR1B10 Kcat '=' 27 /min
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 12589 nM
O60218 BXGT004858 Aldo-keto reductase family 1 member B10 reviewed Enzyme AKR1B10 Km '=' 600000 nM
O60218 BXGT004858 Aldo-keto reductase family 1 member B10 reviewed Enzyme AKR1B10 Kcat/Km '=' 13100 /mM/min
O60218 BXGT004858 Aldo-keto reductase family 1 member B10 reviewed Enzyme AKR1B10 Kcat/Km '=' 3500 /mM/min
O60218 BXGT004858 Aldo-keto reductase family 1 member B10 reviewed Enzyme AKR1B10 Kcat '=' 3 /min
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 Kcat/Km '=' 320 /mM/min
O60218 BXGT004858 Aldo-keto reductase family 1 member B10 reviewed Enzyme AKR1B10 Km '=' 150000 nM
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 Kcat '=' 0 /min
O60218 BXGT004858 Aldo-keto reductase family 1 member B10 reviewed Enzyme AKR1B10 Kcat/Km '=' 12700 /mM/min
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 Kcat '=' 0 /min
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency '=' 12 nM
O60218 BXGT004858 Aldo-keto reductase family 1 member B10 reviewed Enzyme AKR1B10 Kcat/Km '=' 45000 /mM/min
O60218 BXGT004858 Aldo-keto reductase family 1 member B10 reviewed Enzyme AKR1B10 Kcat '=' 7 mM
P15917 BXGT008169 Lethal factor reviewed - lef Potency '=' 15848 nM
O60218 BXGT004858 Aldo-keto reductase family 1 member B10 reviewed Enzyme AKR1B10 Kcat '=' 17 /min
O60218 BXGT004858 Aldo-keto reductase family 1 member B10 reviewed Enzyme AKR1B10 Kcat '=' 4 /min
P04000 BXGT006123 Long-wave-sensitive opsin 1 reviewed G-protein coupled receptor OPN1LW Activity - - -
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG Potency - 2818 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 35481 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 22387 nM
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Potency '=' 15848 nM
O60218 BXGT004858 Aldo-keto reductase family 1 member B10 reviewed Enzyme AKR1B10 Km '=' 1000000 nM
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Potency - 44668 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 10000 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 29849 nM
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Potency - 8912 nM
P04150 BXGT006154 Glucocorticoid receptor reviewed Nuclear receptor NR3C1 Potency - 5011 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 11220 nM
P10145 BXGT007542 Interleukin-8 reviewed Signaling CXCL8 Potency - 421 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency - 35481 nM
P19793 BXGT008515 Retinoic acid receptor RXR-alpha reviewed Nuclear receptor RXRA Potency - 794 nM
Q96RI1 BXGT019727 Bile acid receptor reviewed Nuclear receptor NR1H4 Potency - 15 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF04820 Panax ginseng Panax ginseng 0
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