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CHEBI:206766 - Penochalasin K

ChEBI IDCHEBI:206766
ChEBI NamePenochalasin K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H34N2O4
Net Charge0
Average Mass510.634
Monoisotopic Mass510.25186
SMILESCC1=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)C(=O)C(=O)CCC(=O)[C@]23C(=O)N[C@H]2Cc4c(nc5ccccc45)[C@@]1(C)[C@@H]23
InChIInChI=1S/C32H34N2O4/c1-17-8-7-9-20-15-19(3)31(4)28-24(16-22-21-10-5-6-11-23(21)33-29(22)31)34-30(38)32(20,28)26(36)13-12-25(35)27(37)18(2)14-17/h5-7,9-11,14-15,17,20,24,28,33H,8,12-13,16H2,1-4H3,(H,34,38)/b9-7+,18-14+/t17-,20-,24-,28+,31+,32+/m0/s1
InChIKeyCZYPLDPCWJLDNG-SMCSONOWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28958956)
ChEBI Ontology
Outgoing Relation(s)
Penochalasin K (CHEBI:206766) is a organic heterotetracyclic compound (CHEBI:38163)
Penochalasin K (CHEBI:206766) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name 
(1S,7E,9S,11E,13S,16S,27S,30R)-7,9,15,16-tetramethyl-18,28-diazahexacyclo[14.13.1.01,13.017,25.019,24.027,30]triaconta-7,11,14,17(25),19,21,23-heptaene-2,5,6,29-tetrone
Manual XrefsDatabases
62702366ChemSpider