CHEBI:8605 - Pseudohypericin

ChEBI IDCHEBI:8605
ChEBI NamePseudohypericin
Stars
Last Modified26 September 2014
DownloadsMolfile
FormulaC30H16O9
Net Charge0
Average Mass520.449
Monoisotopic Mass520.07943
SMILESCc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(CO)c8c1c2c(c34)c(c65)c78
InChIInChI=1S/C30H16O9/c1-7-2-9(32)19-23-15(7)16-8(6-31)3-10(33)20-24(16)28-26-18(12(35)5-14(37)22(26)30(20)39)17-11(34)4-13(36)21(29(19)38)25(17)27(23)28/h2-5,31-37H,6H2,1H3
InChIKeyYXBUQQDFTYOHQI-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)
Pseudohypericin (CHEBI:8605) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
Incoming Relation(s)
St. John's wort extract (CHEBI:83161) has part Pseudohypericin (CHEBI:8605)
Synonym  Source
PseudohypericinKEGG COMPOUND
Manual XrefsDatabases
C10392KEGG COMPOUND
C00002855KNApSAcK
Registry NumbersSources
CAS:55954-61-5KEGG COMPOUND