CHEBI:66088 - isatinone B

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ChEBI Name isatinone B
ChEBI ID CHEBI:66088
Definition An indole alkaloid isolated from Isatis costata and exhibits antifungal activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C31H33NO4
Net Charge 0
Average Mass 483.59800
Monoisotopic Mass 483.24096
InChI InChI=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+
InChIKey DGWRIHOXTOJRIO-QVIHXGFCSA-N
SMILES CCCCC(CC)COC(=O)Cc1ccc(O\C(c2ccccc2)=C2\C(=O)Nc3ccccc23)cc1
Metabolite of Species Details
Isatis costata (IPNI:285765-1) Found in whole plant (BTO:0001461). See: PubMed
Roles Classification
Biological Role(s): 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.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
10732684 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
17846565 PubMed citation Europe PMC
Last Modified
28 February 2013