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CHEBI:215444 - Paxinorol

ChEBI IDCHEBI:215444
ChEBI NamePaxinorol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H27NO3
Net Charge0
Average Mass377.484
Monoisotopic Mass377.19909
SMILESC[C@]12CC[C@H]3C(=CC(=O)[C@@H]3O)[C@]1(O)CC[C@H]1Cc3c(nc4ccccc34)[C@@]12C
InChIInChI=1S/C24H27NO3/c1-22-9-8-15-17(12-19(26)20(15)27)24(22,28)10-7-13-11-16-14-5-3-4-6-18(14)25-21(16)23(13,22)2/h3-6,12-13,15,20,25,27-28H,7-11H2,1-2H3/t13-,15-,20+,22+,23+,24+/m0/s1
InChIKeyAOOJCQLUWQYYPG-IKZDRQMHSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1021/jo00124a016)
ChEBI Ontology
Outgoing Relation(s)
Paxinorol (CHEBI:215444) is a indoles (CHEBI:24828)
IUPAC Name 
(1S,2R,5S,6R,10R,13S)-6,10-dihydroxy-1,2-dimethyl-22-azahexacyclo[11.10.0.02,10.05,9.015,23.016,21]tricosa-8,15(23),16,18,20-pentaen-7-one
Manual XrefsDatabases
8175247ChemSpider