CHEBI:5835 - hypericin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name hypericin
ChEBI ID CHEBI:5835
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB9752065, eMolecules:491943
Download Molfile XML SDF
Formula C30H16O8
Net Charge 0
Average Mass 504.44324
Monoisotopic Mass 504.08452
InChI InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3
InChIKey BTXNYTINYBABQR-UHFFFAOYSA-N
SMILES Cc1cc(O)c2c3c1c1c(C)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
Roles Classification
Application(s): antidepressant
Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing hypericin (CHEBI:5835) has parent hydride bisanthene (CHEBI:49267)
hypericin (CHEBI:5835) has role antidepressant (CHEBI:35469)
hypericin (CHEBI:5835) is a carbopolycyclic compound (CHEBI:35294)
Incoming St. John's wort extract (CHEBI:83161) has part hypericin (CHEBI:5835)
IUPAC Name
1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione
Synonyms Sources
1:6:8:10:11:13-hexahydroxy-3:4-dimethyl-meso-naphthodianthrene-7:14-dione Patent
hipericina ChEBI
Hypericin KEGG COMPOUND
hypéricine ChEBI
hypericum red ChemIDplus
Hyperizin ChEBI
Manual Xrefs Databases
C00002829 KNApSAcK
C07606 KEGG COMPOUND
LMPK13040001 LIPID MAPS
LSM-2650 LINCS
US2707704 Patent
View more database links
Registry Numbers Types Sources
1917913 Beilstein Registry Number Beilstein
548-04-9 CAS Registry Number ChemIDplus
926160 Gmelin Registry Number Gmelin
Last Modified
25 February 2016