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CHEBI:66088 - isatinone B

ChEBI IDCHEBI:66088
ChEBI Nameisatinone B
Stars
DefinitionAn indole alkaloid isolated from Isatis costata and exhibits antifungal activity.
Last Modified28 February 2013
DownloadsMolfile
FormulaC31H33NO4
Net Charge0
Average Mass483.608
Monoisotopic Mass483.24096
SMILESCCCCC(CC)COC(=O)Cc1ccc(O/C(=C2/C(=O)Nc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C31H33NO4/c1-3-5-11-22(4-2)21-35-28(33)20-23-16-18-25(19-17-23)36-30(24-12-7-6-8-13-24)29-26-14-9-10-15-27(26)32-31(29)34/h6-10,12-19,22H,3-5,11,20-21H2,1-2H3,(H,32,34)/b30-29+
InChIKeyDGWRIHOXTOJRIO-QVIHXGFCSA-N
Species of MetaboliteComponentSourceComments
Isatis costata (IPNI:285765-1) whole plant (BTO:0001461) PubMed (17846565)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
isatinone B (CHEBI:66088) has functional parent 2-ethylhexan-1-ol (CHEBI:16011)
isatinone B (CHEBI:66088) has role antifungal agent (CHEBI:35718)
isatinone B (CHEBI:66088) has role metabolite (CHEBI:25212)
isatinone B (CHEBI:66088) is a carboxylic ester (CHEBI:33308)
isatinone B (CHEBI:66088) is a enol ether (CHEBI:47985)
isatinone B (CHEBI:66088) is a indole alkaloid (CHEBI:38958)
isatinone B (CHEBI:66088) is a indolones (CHEBI:24829)
IUPAC Name 
2-ethylhexyl (4-{[(E)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)(phenyl)methyl]oxy}phenyl)acetate
Registry NumbersSources
Reaxys:10732684Reaxys
Citations