Page last updated: 2024-12-05

hemimellitene

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Description

Hemimellitene is a trimethylbenzene isomer with the IUPAC name 1,2,3-trimethylbenzene. It is a colorless liquid with a characteristic aromatic odor. It is found in coal tar and petroleum. Hemimellitene is used as a solvent and in the synthesis of other organic compounds. Its synthesis can be achieved through various methods, including the Friedel-Crafts alkylation of benzene with methyl chloride. The compound is studied for its potential applications in materials science and as a precursor for the production of pharmaceuticals. It is a relatively unreactive compound but can undergo reactions such as nitration, sulfonation, and halogenation.'

hemimellitene: structure [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

1,2,3-trimethylbenzene : A trimethylbenzene carrying methyl groups at positions 1, 2 and 3. It has been found in Centaurium erythraea. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

FloraRankFlora DefinitionFamilyFamily Definition
CentauriumgenusA plant genus of the family GENTIANACEAE. Triterpene lactones and other compounds have been isolated from species of this genus. The common name of century plant has also been used for the AGAVE genus.[MeSH]GentianaceaeA plant family of the order Gentianales, subclass Asteridae, class Magnoliopsida.[MeSH]

Cross-References

ID SourceID
PubMed CID10686
CHEMBL ID1797279
CHEBI ID34037
CHEBI ID38641
MeSH IDM0055498

Synonyms (63)

Synonym
BIDD:ER0517
25551-13-7
4-05-00-01007 (beilstein handbook reference)
unii-zk4r7uph6r
zk4r7uph6r ,
ccris 8145
hsdb 7551
AKOS009031505
1,2,3-trimethyl-benzene
1,3-trimethylbenzene
benzene,2,3-trimethyl-
nsc5167
hemimellitene, 90.5%
1,3-trimethylbenzene, 90.5%
526-73-8
hemellitol
wln: 1r b1 c1
hemimellitene
nsc-5167
CHEBI:34037 ,
hemimellitol
nsc65599
nsc-65599
1,2,3-trimethylbenzene, 90.5%
einecs 247-099-9
einecs 208-394-8
brn 1903410
hsdb 6830
nsc 5167
trimethyl benzene
trimethylbenzenes
trimethylbenzene
benzene, 1,2,3-trimethyl-
1,2,3-trimethylbenzene
inchi=1/c9h12/c1-7-5-4-6-8(2)9(7)3/h4-6h,1-3h
1,2,3-trimethylbenzene, technical grade, 90%
T0468
CHEMBL1797279
A829196
unii-a3f3279q14
FT-0606232
trimethylbenzene, 1,2,3-
hemimellitene [hsdb]
1,2,3-trimethyibenzene
1,2,3-trimethyl benzene
dtxcid7027750
tox21_303868
cas-526-73-8
dtxsid8047769 ,
NCGC00357131-01
W-105806
mfcd00008520
1,2,3-trimethylbenzene, analytical standard
benzene, 1,2,3-trimethyl-; 1,2,3-trimethylbenzene; hemimellitene; hemimellitol; nsc 5167; nsc 65599
1,2,3-trimethylbenzene 100 microg/ml in methanol
F0001-1357
Q4352416
AMY25707
1,2,3-trimethylbenzene (>90per cent)
EN300-19373
chebi:38641
DTXSID6049808 ,
Z104473658
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (2)

RoleDescription
neurotoxinA poison that interferes with the functions of the nervous system.
plant metaboliteAny eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Drug Classes (1)

ClassDescription
trimethylbenzene
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (1)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
estrogen-related nuclear receptor alphaHomo sapiens (human)Potency43.27710.001530.607315,848.9004AID1224841
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (1)

Assay IDTitleYearJournalArticle
AID603957Octanol-water partition coefficient, log P of the compound2008European journal of medicinal chemistry, Apr, Volume: 43, Issue:4
QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (17)

TimeframeStudies, This Drug (%)All Drugs %
pre-19903 (17.65)18.7374
1990's9 (52.94)18.2507
2000's2 (11.76)29.6817
2010's3 (17.65)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 21.09

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index21.09 (24.57)
Research Supply Index2.94 (2.92)
Research Growth Index4.74 (4.65)
Search Engine Demand Index18.60 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (21.09)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials1 (5.88%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other16 (94.12%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]