EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:6011 - isoficine

ChEBI IDCHEBI:6011
ChEBI Nameisoficine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H19NO4
Net Charge0
Average Mass337.375
Monoisotopic Mass337.13141
SMILESCN1CCCC1c1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C20H19NO4/c1-21-9-5-8-13(21)18-14(22)11-17-19(20(18)24)15(23)10-16(25-17)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,22,24H,5,8-9H2,1H3
InChIKeyOTHGANFGYSWHJH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
isoficine (CHEBI:6011) is a N-alkylpyrrolidine (CHEBI:46775)
isoficine (CHEBI:6011) is a dihydroxyflavone (CHEBI:38686)
Synonyms  Source
IsoficineKEGG COMPOUND
4H-1-Benzopyran-4-one, 5,7-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-KEGG COMPOUND
Manual XrefsDatabases
C10601KEGG COMPOUND
C00002346KNApSAcK
Registry NumbersSources
CAS:2255-62-1KEGG COMPOUND