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CHEBI:208590 - 9-prenylpaxilline

ChEBI IDCHEBI:208590
ChEBI Name9-prenylpaxilline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H41NO4
Net Charge0
Average Mass503.683
Monoisotopic Mass503.30356
SMILESCC(C)=CCc1ccc2nc3c(c2c1)C[C@@H]1CC[C@@]2(O)C4=CC(=O)[C@@H](C(C)(C)O)O[C@H]4CC[C@]2(C)[C@@]31C
InChIInChI=1S/C32H41NO4/c1-18(2)7-8-19-9-10-24-21(15-19)22-16-20-11-14-32(36)23-17-25(34)28(29(3,4)35)37-26(23)12-13-30(32,5)31(20,6)27(22)33-24/h7,9-10,15,17,20,26,28,33,35-36H,8,11-14,16H2,1-6H3/t20-,26-,28-,30+,31+,32+/m0/s1
InChIKeySJIZYQLZTLQSKI-QBTJWMPOSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/0040-4020(95)00138-X)
ChEBI Ontology
Outgoing Relation(s)
9-prenylpaxilline (CHEBI:208590) is a organic heterotricyclic compound (CHEBI:26979)
9-prenylpaxilline (CHEBI:208590) 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-(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
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8656613ChemSpider