Natural Product (NP) Details

General Information of the NP (ID: NP7415)
Name
Melatonin
Synonyms
Melatonine; Circadin; 5-Methoxy-N-acetyltryptamine; BRN 0205542; Melatonex
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Species Origin Homo sapiens ...     Click to Show/Hide
Homo sapiens
Kingdom: Metazoa
Phylum: Chordata
Class: Mammalia
Order: Primates
Family: Hominidae
Genus: Homo
Species: Homo sapiens
Disease Insomnia [ICD-11: 7A00-7A0Z] Approved [1]
Structure
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2D MOL

3D MOL

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Formula
C13H16N2O2
PubChem CID
896
Canonical SMILES
CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
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)
InChIKey
DRLFMBDRBRZALE-UHFFFAOYSA-N
CAS Number
CAS 73-31-4
Herb ID
HBIN034657
SymMap ID
SMIT03857
TCMSP ID
MOL001431
TTD Drug ID
D0AN7B
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP
          Cisplatin      Bladder cancer     Click to Show/Hide the Molecular Data of This Drug
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation		 Up-regulation Expression TP53  Molecule Info 
Pathway MAP
                    In-vivo Model Four-week-old female CD-1 (ICR) mice weighing 20 +/- 2 g were used in this study.
                    Experimental
                    Result(s)		 Melatonin and ghrelin showed synergistic effect on preventing cisplatin-induced ovarian damage via regulation of FOXO3a phosphorylation and binding to the p27 Kip1 promoter in primordial follicles.
Target and Pathway
Target(s) Melatonin receptor type 1A (MTNR1A)  Molecule Info  [3]
Quinone reductase 2 (NQO2)  Molecule Info  [4]
KEGG Pathway Neuroactive ligand-receptor interaction Click to Show/Hide
2 Circadian entrainment
Reactome Class A/1 (Rhodopsin-like receptors) Click to Show/Hide
2 G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like Click to Show/Hide
2 Small Ligand GPCRs
3 GPCR ligand binding
4 GPCR downstream signaling
References
Reference 1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 224).
Reference 2 Synergistic effect of melatonin and ghrelin in preventing cisplatin-induced ovarian damage via regulation of FOXO3a phosphorylation and binding to the p27 Kip1 promoter in primordial follicles. J Pineal Res. 2017 Oct;63(3).
Reference 3 The human MT1 melatonin receptor stimulates cAMP production in the human neuroblastoma cell line SH-SY5Y cells via a calcium-calmodulin signal transduction pathway. J Neuroendocrinol. 2005 Mar;17(3):170-8.
Reference 4 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
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