CHEBI:8605 - Pseudohypericin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Pseudohypericin
ChEBI ID CHEBI:8605
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H16O9
Net Charge 0
Average Mass 520.444
Monoisotopic Mass 520.07943
InChI InChI=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
InChIKey YXBUQQDFTYOHQI-UHFFFAOYSA-N
SMILES Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
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 Pseudohypericin (CHEBI:8605) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
Incoming St. John's wort extract (CHEBI:83161) has part Pseudohypericin (CHEBI:8605)
Synonym Source
Pseudohypericin KEGG COMPOUND
Manual Xrefs Databases
C00002855 KNApSAcK
C10392 KEGG COMPOUND
View more database links
Registry Number Type Source
55954-61-5 CAS Registry Number KEGG COMPOUND
Last Modified
26 September 2014