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CHEBI:216356 - Penochalasin E

ChEBI IDCHEBI:216356
ChEBI NamePenochalasin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38N2O5
Net Charge0
Average Mass530.665
Monoisotopic Mass530.27807
SMILESC/C1=C/[C@@H](C)C/C=C\[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3C(Cc4cnc5ccccc45)NC(=O)[C@@]32C(=O)CCC(=O)[C@H]1O
InChIInChI=1S/C32H38N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-11,14,16-17,19,22,24,27-29,33,37H,8,12-13,15H2,1-4H3,(H,34,38)/b10-7-,18-14-/t17-,19-,22-,24?,27-,28-,29-,31+,32-/m0/s1
InChIKeyNHUOPFQUMNXHQK-AZHONJPQSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1016/s0040-4020(01)00153-3)
ChEBI Ontology
Outgoing Relation(s)
Penochalasin E (CHEBI:216356) is a indoles (CHEBI:24828)
IUPAC Name 
(1S,6S,7Z,9S,11Z,13R,14S,16R,17S,18R)-6-hydroxy-19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-7,11-diene-2,5,21-trione
Manual XrefsDatabases
78438637ChemSpider