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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:
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.
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.
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