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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 13:44:12 UTC
Update Date2021-09-26 23:08:24 UTC
HMDB IDHMDB0254426
Secondary Accession NumbersNone
Metabolite Identification
Common NameMelitracen
DescriptionMelitracen, also known as adelax, belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings. In addition to single drug preparations, it is also available as Deanxit, a combination product containing both melitracen and flupentixol. Melitracen is a very strong basic compound (based on its pKa). The pharmacology of melitracen has not been properly investigated and is largely unknown, but it is likely to act in a similar manner to other TCAs. Indeed, melitracen is reported to have imipramine and amitriptyline-like effects and efficacy against depression and anxiety, though with improved tolerability and a somewhat faster onset of action. Melitracen (brand names Adaptol, Dixeran, Melixeran, Thymeol, Trausabun) is a tricyclic antidepressant (TCA) marketed in Europe and Japan by Lundbeck and Takeda, respectively, for the treatment of depression and anxiety. This compound has been identified in human blood as reported by (PMID: 31557052 ). Melitracen is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Melitracen is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
Thumb
Synonyms
ValueSource
AdelaxKegg
MelitraceneMeSH
N,N-Dimethyl-3-(9,10-dihydro-10,10-dimethylanthracen-9-yliden)propylamineMeSH
TrausabunMeSH
MetrisilMeSH
Melitracene hydrochlorideMeSH
Chemical FormulaC21H25N
Average Molecular Weight291.438
Monoisotopic Molecular Weight291.198699809
IUPAC Name[3-(10,10-dimethyl-9,10-dihydroanthracen-9-ylidene)propyl]dimethylamine
Traditional Namemelitracen
CAS Registry NumberNot Available
SMILES
CN(C)CCC=C1C2=CC=CC=C2C(C)(C)C2=CC=CC=C12
InChI Identifier
InChI=1S/C21H25N/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21/h5-8,10-14H,9,15H2,1-4H3
InChI KeyGWWLWDURRGNSRS-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
KingdomOrganic compounds
Super ClassBenzenoids
ClassAnthracenes
Sub ClassNot Available
Direct ParentAnthracenes
Alternative Parents
Substituents
  • Anthracene
  • Tertiary aliphatic amine
  • Tertiary amine
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Amine
  • Aromatic homopolycyclic compound
Molecular FrameworkAromatic homopolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB13384
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMelitracen
METLIN IDNot Available
PubChem Compound25382
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]