CHEBI:51414 - hexacyclopentacoronene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name hexacyclopentacoronene
ChEBI ID CHEBI:51414
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C36H12
Net Charge 0
Average Mass 444.48048
Monoisotopic Mass 444.09390
InChI InChI=1S/C36H12/c1-2-14-16-5-6-19-20-9-10-22-24-12-11-23-21-8-7-18-17-4-3-15-13(1)25(14)31-32(26(15)17)34(28(18)21)36(30(23)24)35(29(20)22)33(31)27(16)19/h1-12H
InChIKey CPYSJPHHGZPDFC-UHFFFAOYSA-N
SMILES c1cc2c3ccc4c5ccc6c7ccc8c9ccc%10c%11ccc%12c1c2c1c(c%11%12)c(c9%10)c(c78)c(c56)c1c34
Roles Classification
Biological Role(s): 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing hexacyclopentacoronene (CHEBI:51414) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
IUPAC Name
hexacyclopenta[bc,ef,hi,kl,no,qr]coronene
Registry Numbers Types Sources
6445592 Beilstein Registry Number Beilstein
96928-78-8 CAS Registry Number NIST Chemistry WebBook
Last Modified
19 January 2009