CHEBI:33082 - phenalene

ChEBI IDCHEBI:33082
ChEBI Namephenalene
Stars
Last Modified22 November 2018
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC13H10
Net Charge0
Average Mass166.223
Monoisotopic Mass166.07825
SMILESC1=Cc2cccc3cccc(c23)C1
InChIInChI=1S/C13H10/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12/h1-8H,9H2
InChIKeyXDJOIMJURHQYDW-UHFFFAOYSA-N
Roles Classification
Biological Role:
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)
phenalene (CHEBI:33082) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
phenalene (CHEBI:33082) is a ortho- and peri-fused tricyclic hydrocarbon (CHEBI:51120)
Incoming Relation(s)
2,3,4,7,9-pentahydroxy-6-methyl-1H-phenalen-1-one (CHEBI:142620) has parent hydride phenalene (CHEBI:33082)
funalenone (CHEBI:65932) has parent hydride phenalene (CHEBI:33082)
IUPAC Name 
1H-phenalene
Synonyms  Source
phenaleneChemIDplus
perinaphtheneNIST Chemistry WebBook
1H-benzonaphtheneNIST Chemistry WebBook
Registry NumbersSources
Gmelin:747032Gmelin
Beilstein:1858040Beilstein
CAS:203-80-5ChemIDplus
CAS:203-80-5NIST Chemistry WebBook