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CHEBI:34342 - 3-methylcholanthrene

Default Structure
ChEBI IDCHEBI:34342
ChEBI Name3-methylcholanthrene
Stars
DefinitionA pentacyclic ortho- and peri-fused polycyclic arene consisting of a dihydrocyclopenta[ij]tetraphene ring system with a methyl substituent at the 3-position.
Last Modified18 September 2018
DownloadsMolfile
FormulaC21H16
Net Charge0
Average Mass268.359
Monoisotopic Mass268.12520
SMILESCc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3
InChIInChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3
InChIKeyPPQNQXQZIWHJRB-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
aryl hydrocarbon receptor agonist  An agonist that binds to and activates aryl hydrocarbon receptors (AhRs).
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
3-methylcholanthrene (CHEBI:34342) has role aryl hydrocarbon receptor agonist (CHEBI:72768)
3-methylcholanthrene (CHEBI:34342) has role carcinogenic agent (CHEBI:50903)
3-methylcholanthrene (CHEBI:34342) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
Incoming Relation(s)
11,12-epoxy-3-methylcholanthrene (CHEBI:142244) has functional parent 3-methylcholanthrene (CHEBI:34342)
IUPAC Name 
3-methyl-1,2-dihydrocyclopenta[ij]tetraphene
Synonyms  Source
1,2-Dihydro-3-methylbenz(j)aceanthryleneChemIDplus
20-MCChemIDplus
20-MethylcholanthreneNIST Chemistry WebBook
20-MethylcholanthreneChemIDplus
3-MCChemIDplus
3-MCAChemIDplus
Manual XrefsDatabases
C14470KEGG COMPOUND
LSM-5711LINCS
MethylcholanthreneWikipedia
Registry NumbersSources
Reaxys:1913890Reaxys
CAS:56-49-5NIST Chemistry WebBook
CAS:56-49-5ChemIDplus
CAS:56-49-5KEGG COMPOUND
Citations