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CHEBI:201745 - Hapalindole Q

ChEBI IDCHEBI:201745
ChEBI NameHapalindole Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24N2S
Net Charge0
Average Mass336.504
Monoisotopic Mass336.16602
SMILESC=C[C@@]1(C)CC[C@@H](C(=C)C)[C@H](c2cnc3ccccc23)[C@H]1N=C=S
InChIInChI=1S/C21H24N2S/c1-5-21(4)11-10-15(14(2)3)19(20(21)23-13-24)17-12-22-18-9-7-6-8-16(17)18/h5-9,12,15,19-20,22H,1-2,10-11H2,3-4H3/t15-,19+,20+,21-/m0/s1
InChIKeyPPHWDUZMWNUINO-NOOVBMIQSA-N
Species of MetaboliteComponentSourceComments
Hapalosiphon (ncbitaxon:162985) - DOI (10.1021/jo00382a012)
ChEBI Ontology
Outgoing Relation(s)
Hapalindole Q (CHEBI:201745) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
3-[(1R,2R,3R,6R)-3-ethenyl-2-isothiocyanato-3-methyl-6-prop-1-en-2-ylcyclohexyl]-1H-indole
Manual XrefsDatabases
8421905ChemSpider