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CHEBI:205416 - Truncaquinone A

ChEBI IDCHEBI:205416
ChEBI NameTruncaquinone A
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SubmitterMetaboLights
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FormulaC28H24N2O4
Net Charge0
Average Mass452.510
Monoisotopic Mass452.17361
SMILESC=CC(C)(C)c1nc2ccccc2c1C1=C(O)C(=O)C(c2cnc3ccccc23)=C(OC)C1=O
InChIInChI=1S/C28H24N2O4/c1-5-28(2,3)27-20(16-11-7-9-13-19(16)30-27)22-24(32)23(31)21(26(34-4)25(22)33)17-14-29-18-12-8-6-10-15(17)18/h5-14,29-30,32H,1H2,2-4H3
InChIKeyCEJMBHGSAHCRPJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Annulohypoxylon truncatum (ncbitaxon:327061) - DOI (10.1016/j.tetlet.2016.04.014)
ChEBI Ontology
Outgoing Relation(s)
Truncaquinone A (CHEBI:205416) is a prenylquinone (CHEBI:26255)
IUPAC Name 
2-hydroxy-6-(1H-indol-3-yl)-5-methoxy-3-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
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78434822ChemSpider