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CHEBI:5835 - hypericin

ChEBI IDCHEBI:5835
ChEBI Namehypericin
Stars
Last Modified25 February 2016
DownloadsMolfile
FormulaC30H16O8
Net Charge0
Average Mass504.450
Monoisotopic Mass504.08452
SMILESCc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65
InChIInChI=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
InChIKeyBTXNYTINYBABQR-UHFFFAOYSA-N
Roles Classification
Application:
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
HypericinKEGG COMPOUND
hypericum redChemIDplus
1:6:8:10:11:13-hexahydroxy-3:4-dimethyl-meso-naphthodianthrene-7:14-dionePatent
hipericinaChEBI
HyperizinChEBI
hypéricineChEBI
Manual XrefsDatabases
C07606KEGG COMPOUND
US2707704Patent
LMPK13040001LIPID MAPS
C00002829KNApSAcK
LSM-2650LINCS
Registry NumbersSources
Beilstein:1917913Beilstein
Gmelin:926160Gmelin
CAS:548-04-9KEGG COMPOUND
CAS:548-04-9ChemIDplus