CHEBI:16945 - scytalone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name scytalone
ChEBI ID CHEBI:16945
Definition A cyclic ketone that is 3,4-dihydronaphthalen-1(2H)-one substituted by hydroxy groups at positions 3, 6, and 8.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:9064, CHEBI:15069, CHEBI:26615
Supplier Information
Download Molfile XML SDF
Formula C10H10O4
Net Charge 0
Average Mass 194.18400
Monoisotopic Mass 194.05791
InChI InChI=1S/C10H10O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1,3,7,11-13H,2,4H2
InChIKey RTWVXIIKUFSDJB-UHFFFAOYSA-N
SMILES OC1CC(=O)c2c(O)cc(O)cc2C1
ChEBI Ontology
Outgoing scytalone (CHEBI:16945) has parent hydride tetralin (CHEBI:35008)
scytalone (CHEBI:16945) is a β-hydroxy ketone (CHEBI:55380)
scytalone (CHEBI:16945) is a aromatic ketone (CHEBI:76224)
scytalone (CHEBI:16945) is a cyclic ketone (CHEBI:3992)
scytalone (CHEBI:16945) is a phenols (CHEBI:33853)
IUPAC Name
3,6,8-trihydroxy-3,4-dihydronaphthalen-1(2H)-one
Synonyms Sources
3,4-Dihydro-3,6,8-trihydoroxy-1(2H)-napthalenone KEGG COMPOUND
Scytalone KEGG COMPOUND
scytalone UniProt
Manual Xref Database
C00779 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
2050731 Reaxys Registry Number Reaxys
49598-85-8 CAS Registry Number ChemIDplus
Last Modified
31 July 2015