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CHEBI:217492 - Hericirine

ChEBI IDCHEBI:217492
ChEBI NameHericirine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H39NO
Net Charge0
Average Mass417.637
Monoisotopic Mass417.30316
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)N(CCc4ccccc4)C3=CC[C@]12C
InChIInChI=1S/C29H39NO/c1-20(2)21(3)11-12-22(4)25-13-14-26-24-19-28(31)30(27(24)15-17-29(25,26)5)18-16-23-9-7-6-8-10-23/h6-12,15,19-22,25-26H,13-14,16-18H2,1-5H3/b12-11+/t21-,22+,25+,26-,29+/m0/s1
InChIKeyKJDSEFLYDWGLDK-BAXVWPGLSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - DOI (10.1016/j.tetlet.2014.05.117)
ChEBI Ontology
Outgoing Relation(s)
Hericirine (CHEBI:217492) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(5aR,6R,8aR)-6-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-5a-methyl-3-(2-phenylethyl)-6,7,8,8a-tetrahydro-5H-cyclopenta[e]indol-2-one
Manual XrefsDatabases
34485433ChemSpider