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CHEBI:209229 - Penicilindole A

ChEBI IDCHEBI:209229
ChEBI NamePenicilindole A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H41NO2
Net Charge0
Average Mass423.641
Monoisotopic Mass423.31373
SMILESCC(C)=CCC[C@@]12[C@@H](O)CC[C@@H](C)[C@]1(C)CC[C@@](C)(O)[C@H]2Cc1cnc2ccccc12
InChIInChI=1S/C28H41NO2/c1-19(2)9-8-14-28-24(17-21-18-29-23-11-7-6-10-22(21)23)27(5,31)16-15-26(28,4)20(3)12-13-25(28)30/h6-7,9-11,18,20,24-25,29-31H,8,12-17H2,1-5H3/t20-,24-,25+,26+,27-,28-/m1/s1
InChIKeyGFSPEIJDKJGERO-FSTPOKOHSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (29489361)
ChEBI Ontology
Outgoing Relation(s)
Penicilindole A (CHEBI:209229) is a indoles (CHEBI:24828)
IUPAC Name 
(1S,4R,4aS,7R,8S,8aS)-8-(1H-indol-3-ylmethyl)-4,4a,7-trimethyl-8a-(4-methylpent-3-enyl)-2,3,4,5,6,8-hexahydro-1H-naphthalene-1,7-diol
Manual XrefsDatabases
65323287ChemSpider