CHEBI:34342 - 3-methylcholanthrene

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ChEBI Name 3-methylcholanthrene
ChEBI ID CHEBI:34342
Definition A pentacyclic ortho- and peri-fused polycyclic arene consisting of a dihydrocyclopenta[ij]tetraphene ring system with a methyl substituent at the 3-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information eMolecules:524652, ZINC000003875336
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Formula C21H16
Net Charge 0
Average Mass 268.35174
Monoisotopic Mass 268.12520
InChI InChI=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
InChIKey PPQNQXQZIWHJRB-UHFFFAOYSA-N
SMILES Cc1ccc2cc3c(ccc4ccccc34)c3CCc1c23
Roles Classification
Biological Role(s): 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.
(via polycyclic arene )
Application(s): endocrine disruptor
Any compound that can disrupt the functions of the endocrine (hormone) system
(via polycyclic arene )
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ChEBI Ontology
Outgoing 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 11,12-epoxy-3-methylcholanthrene (CHEBI:142244) has functional parent 3-methylcholanthrene (CHEBI:34342)
IUPAC Name
3-methyl-1,2-dihydrocyclopenta[ij]tetraphene
Synonyms Sources
1,2-Dihydro-3-methylbenz(j)aceanthrylene ChemIDplus
20-MC ChemIDplus
20-Methylcholanthrene NIST Chemistry WebBook
20-Methylcholanthrene ChemIDplus
3-MC ChemIDplus
3-MCA ChemIDplus
3-methyl-1,2-dihydrobenzo[j]aceanthrylene IUPAC
3-Methylcholanthrene KEGG COMPOUND
MC ChemIDplus
MCA ChemIDplus
Methylcholanthrene ChemIDplus
Manual Xrefs Databases
C14470 KEGG COMPOUND
LSM-5711 LINCS
Methylcholanthrene Wikipedia
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Registry Numbers Types Sources
1913890 Reaxys Registry Number Reaxys
56-49-5 CAS Registry Number KEGG COMPOUND
56-49-5 CAS Registry Number ChemIDplus
56-49-5 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
11922910 PubMed citation Europe PMC
16359657 PubMed citation Europe PMC
24658119 PubMed citation Europe PMC
26076008 PubMed citation Europe PMC
7561049 PubMed citation Europe PMC
Last Modified
18 September 2018