CHEBI:9597 - Tiliacorine

ChEBI IDCHEBI:9597
ChEBI NameTiliacorine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC36H36N2O5
Net Charge0
Average Mass576.693
Monoisotopic Mass576.26242
SMILESCOc1ccc2cc1-c1cc(ccc1O)C[C@H]1c3cc4c(cc3CCN1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)N(C)CC3
InChIInChI=1S/C36H36N2O5/c1-37-11-9-22-17-31-32-19-24(22)27(37)15-20-5-7-29(39)25(13-20)26-14-21(6-8-30(26)40-3)16-28-34-23(10-12-38(28)2)18-33(41-4)35(42-31)36(34)43-32/h5-8,13-14,17-19,27-28,39H,9-12,15-16H2,1-4H3/t27-,28-/m0/s1
InChIKeyDQIJJKSVYLLDQW-NSOVKSMOSA-N
ChEBI Ontology
Outgoing Relation(s)
Tiliacorine (CHEBI:9597) is a isoquinolines (CHEBI:24922)
Synonym  Source
TiliacorineKEGG COMPOUND
Manual XrefsDatabases
C09667KEGG COMPOUND
C00001925KNApSAcK
Registry NumbersSources
CAS:27073-72-9KEGG COMPOUND