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CHEBI:181405 - 21,22-Diprenylpaxilline

Default Structure
ChEBI IDCHEBI:181405
ChEBI Name21,22-Diprenylpaxilline
Stars
Last Modified8 July 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H49NO4
Net Charge0
Average Mass571.802
Monoisotopic Mass571.36616
SMILES[H][C@@]12CC[C@@]3(O)C4=CC(=O)[C@@]([H])(C(C)(C)O)O[C@@]4([H])CC[C@]3(C)[C@@]1(C)c1nc3cc(CC=C(C)C)c(CC=C(C)C)cc3c1C2
InChIInChI=1S/C37H49NO4/c1-21(2)9-11-23-17-26-27-19-25-13-16-37(41)28-20-30(39)33(34(5,6)40)42-31(28)14-15-35(37,7)36(25,8)32(27)38-29(26)18-24(23)12-10-22(3)4/h9-10,17-18,20,25,31,33,38,40-41H,11-16,19H2,1-8H3/t25-,31-,33-,35+,36+,37+/m0/s1
InChIKeyYMPSZJNRZBHLRI-OGYDQXLWSA-N
ChEBI Ontology
Outgoing Relation(s)
21,22-Diprenylpaxilline (CHEBI:181405) is a organic heterotricyclic compound (CHEBI:26979)
21,22-Diprenylpaxilline (CHEBI:181405) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2R,5S,7R,11S,14S)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-19,20-bis(3-methylbut-2-enyl)-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17(22),18,20-pentaen-8-one
UniProt Name  Source
21,22-diprenylpaxillineUniProt
Manual XrefsDatabases
30771021ChemSpider
C20561KEGG COMPOUND