EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:205029 - Thiersindole A

ChEBI IDCHEBI:205029
ChEBI NameThiersindole A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO
Net Charge0
Average Mass405.626
Monoisotopic Mass405.30316
SMILESCC(C)C1=CC[C@]2(C)[C@@H](O)CC[C@H]3[C@](C)(Cc4cnc5ccccc45)[C@@H](C)CC[C@]132
InChIInChI=1S/C28H39NO/c1-18(2)22-13-14-27(5)25(30)11-10-24-26(4,19(3)12-15-28(22,24)27)16-20-17-29-23-9-7-6-8-21(20)23/h6-9,13,17-19,24-25,29-30H,10-12,14-16H2,1-5H3/t19-,24-,25-,26+,27+,28-/m0/s1
InChIKeyLAHNOUCHTJTZRF-HCCSKZQKSA-N
Species of MetaboliteComponentSourceComments
Penicillium thiersii (ncbitaxon:116978) - PubMed (14510604)
ChEBI Ontology
Outgoing Relation(s)
Thiersindole A (CHEBI:205029) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3aS,4S,6aS,7R,8S,10aR)-7-(1H-indol-3-ylmethyl)-3a,7,8-trimethyl-1-propan-2-yl-3,4,5,6,6a,8,9,10-octahydrocyclopenta[j]naphthalen-4-ol
Manual XrefsDatabases
9059276ChemSpider