Melatonin
| Internal ID | d989b9e6-1ef4-4976-8c40-2d93177eff04 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide |
| SMILES (Canonical) | CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC |
| SMILES (Isomeric) | CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC |
| InChI | InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) |
| InChI Key | DRLFMBDRBRZALE-UHFFFAOYSA-N |
| Popularity | 41,558 references in papers |
| Molecular Formula | C13H16N2O2 |
| Molecular Weight | 232.28 g/mol |
| Exact Mass | 232.121177757 g/mol |
| Topological Polar Surface Area (TPSA) | 54.10 Ų |
| XlogP | 0.80 |
| 73-31-4 |
| Melatonine |
| N-Acetyl-5-methoxytryptamine |
| Circadin |
| N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide |
| 5-Methoxy-N-acetyltryptamine |
| Melatol |
| N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide |
| Melovine |
| Melatonex |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] |
28183.8 nM |
Potency |
via CMAUP
|
| CHEMBL3577 | P00352 | Aldehyde dehydrogenase 1A1 |
39810.7 nM |
Potency |
via CMAUP
|
| CHEMBL1293237 | P54132 | Bloom syndrome protein |
1.6 nM 1.6 nM 1.6 nM |
Potency Potency Potency |
via CMAUP
via CMAUP via Super-PRED |
| CHEMBL3356 | P05177 | Cytochrome P450 1A2 |
5011.87 nM |
AC50 |
via CMAUP
|
| CHEMBL289 | P10635 | Cytochrome P450 2D6 |
10000 nM |
Potency |
via CMAUP
|
| CHEMBL340 | P08684 | Cytochrome P450 3A4 |
19952.6 nM 19952.6 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL4159 | Q99714 | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein |
39810.7 nM |
Potency |
via CMAUP
|
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor |
0.5 nM |
Ki |
via Super-PRED
|
| CHEMBL1293226 | B2RXH2 | Lysine-specific demethylase 4D-like |
22387.2 nM |
Potency |
via CMAUP
|
| CHEMBL1945 | P48039 | Melatonin receptor 1A |
0.0257 nM 0.2 nM 0.11 nM 0.6 nM 0.53 nM 0.44 nM 0.18 nM 0.2 nM |
EC50 IC50 IC50 IC50 IC50 IC50 IC50 IC50 |
via Super-PRED
PMID: 18372181 PMID: 26988801 PMID: 12643943 PMID: 23582449 PMID: 23466604 PMID: 18983139 PMID: 21377769 |
| CHEMBL1946 | P49286 | Melatonin receptor 1B |
0.069 nM 0.53 nM 0.53 nM |
EC50 IC50 IC50 |
via Super-PRED
PMID: 18372181 PMID: 21377769 |
| CHEMBL1293235 | P02545 | Prelamin-A/C |
0.8 nM 0.8 nM |
Potency Potency |
via CMAUP
via Super-PRED |
| CHEMBL3959 | P16083 | Quinone reductase 2 |
64.6 nM 11300 nM 6600 nM 11300 nM 64.57 nM 64.6 nM |
IC50 IC50 IC50 IC50 IC50 IC50 |
PMID: 21377769
PMID: 19265439 PMID: 23131339 PMID: 23131339 PMID: 18400335 via Super-PRED |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A |
14125.4 nM |
Potency |
via CMAUP
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.49% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.56% | 96.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 96.89% | 98.59% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.38% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.18% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.12% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.95% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.90% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.27% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.61% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.52% | 95.56% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 84.10% | 94.00% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 83.41% | 93.24% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 82.04% | 80.96% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.79% | 92.62% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 81.30% | 90.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.35% | 94.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Hypericum perforatum |
| Ipomoea nil |
| Juglans regia |
| Leonurus japonicus |
| Prunus cerasus |
| Solanum tuberosum |
| Zingiber officinale |
| Ziziphus jujuba |