CHEBI:208590 - 9-prenylpaxilline

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 9-prenylpaxilline
ChEBI ID CHEBI:208590
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H41NO4
Net Charge 0
Average Mass 503.683
Monoisotopic Mass 503.30356
InChI InChI=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
InChIKey SJIZYQLZTLQSKI-QBTJWMPOSA-N
SMILES O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=CC(=CC6C5C[C@@H]4CC3)CC=C(C)C)C)(CC[C@@H]2O[C@@H]1C(O)(C)C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
8656613 ChemSpider
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