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CHEBI:205690 - Communesin A

ChEBI IDCHEBI:205690
ChEBI NameCommunesin A
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FormulaC28H32N4O2
Net Charge0
Average Mass456.590
Monoisotopic Mass456.25253
SMILESCC(=O)N1CC[C@@]23c4ccccc4N[C@@H]4N(C)c5cccc6c5[C@@]42CCN([C@@H]13)[C@@H]6C1OC1(C)C
InChIInChI=1S/C28H32N4O2/c1-16(33)31-14-12-27-18-9-5-6-10-19(18)29-24-28(27)13-15-32(25(27)31)22(23-26(2,3)34-23)17-8-7-11-20(21(17)28)30(24)4/h5-11,22-25,29H,12-15H2,1-4H3/t22-,23?,24+,25+,27-,28-/m0/s1
InChIKeyQKUUVGNHUMKUAN-CBRPJXDCSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1016/s0040-4039(00)77612-x)
ChEBI Ontology
Outgoing Relation(s)
Communesin A (CHEBI:205690) is a pyridoindole (CHEBI:48888)
IUPAC Name 
1-[(2S,6R,14R,22R,25S)-25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetrazaheptacyclo[18.4.1.02,6.06,22.07,12.014,22.016,21]pentacosa-7,9,11,16,18,20-hexaen-3-yl]ethanone
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74095765ChemSpider