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CHEBI:205843 - Alantryleunone

ChEBI IDCHEBI:205843
ChEBI NameAlantryleunone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H27N5O3
Net Charge0
Average Mass469.545
Monoisotopic Mass469.21139
SMILESCC(C)C[C@H]1N[C@H]2N(C1=O)c1ccccc1[C@@]21C[C@@H]2C(=O)N[C@@]1(C)c1nc3ccccc3c(=O)n12
InChIInChI=1S/C27H27N5O3/c1-14(2)12-18-23(35)31-19-11-7-5-9-16(19)27(25(31)29-18)13-20-21(33)30-26(27,3)24-28-17-10-6-4-8-15(17)22(34)32(20)24/h4-11,14,18,20,25,29H,12-13H2,1-3H3,(H,30,33)/t18-,20-,25+,26+,27+/m1/s1
InChIKeyYXZKXQFQFVNJGY-BPKUFTPRSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1016/j.bse.2004.09.002)
ChEBI Ontology
Outgoing Relation(s)
Alantryleunone (CHEBI:205843) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name 
(1R,2'R,3'aS,12R,16R)-12-methyl-2'-(2-methylpropyl)spiro[2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene-16,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,14-trione
Manual XrefsDatabases
78441942ChemSpider