EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:38248 - scillarenin

ChEBI IDCHEBI:38248
ChEBI Namescillarenin
Stars
Last Modified17 January 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC24H32O4
Net Charge0
Average Mass384.516
Monoisotopic Mass384.23006
SMILES[H][C@]12CC[C@@]3(C)[C@](O)(CC[C@]3([H])c3ccc(=O)oc3)[C@]1([H])CCC1=C[C@@H](O)CC[C@@]12C
InChIInChI=1S/C24H32O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,13-14,17-20,25,27H,4-5,7-12H2,1-2H3/t17-,18+,19-,20+,22-,23+,24-/m0/s1
InChIKeyOVUOVMIMOCJILI-KFZANIOBSA-N
ChEBI Ontology
Outgoing Relation(s)
scillarenin (CHEBI:38248) has functional parent bufanolide (CHEBI:22934)
scillarenin (CHEBI:38248) is a 14β-hydroxy steroid (CHEBI:36862)
scillarenin (CHEBI:38248) is a 3β-hydroxy steroid (CHEBI:36836)
Incoming Relation(s)
scillaren A (CHEBI:27831) has functional parent scillarenin (CHEBI:38248)
IUPAC Name 
3β,14-dihydroxybufa-4,20,22-trienolide
Synonyms  Source
CardiogeninChemIDplus
Scillarenin AChemIDplus
beta-ScillareninChemIDplus
Registry NumbersSources
CAS:465-22-5ChemIDplus