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CHEBI:34342 - 3-methylcholanthrene
| Formula | C21H16 |
| Net Charge | 0 |
| Average Mass | 268.359 |
| Monoisotopic Mass | 268.12520 |
| SMILES | Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3 |
| 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 |
| Wikipedia |
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| Roles Classification |
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| 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 |
|---|---|
| 3-Methylcholanthrene | KEGG COMPOUND |
| 3-methyl-1,2-dihydrobenzo[j]aceanthrylene | IUPAC |
| Methylcholanthrene | ChemIDplus |
| 1,2-Dihydro-3-methylbenz(j)aceanthrylene | ChemIDplus |
| 20-Methylcholanthrene | ChemIDplus |
| 20-Methylcholanthrene | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| C14470 | KEGG COMPOUND |
| Methylcholanthrene | Wikipedia |
| LSM-5711 | LINCS |
| Citations |
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