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CHEBI:181356 - 1-[(4As,5R,7S,8aR)-5-[[(1S,5S,9S,11R,13S,17R)-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.02,7.013,17]heptadec-6-en-5-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone

Default Structure
ChEBI IDCHEBI:181356
ChEBI Name1-[(4As,5R,7S,8aR)-5-[[(1S,5S,9S,11R,13S,17R)-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.02,7.013,17]heptadec-6-en-5-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H49N3O
Net Charge0
Average Mass467.742
Monoisotopic Mass467.38756
SMILES[H][C@@]12CN(C)[C@@]3([H])C[C@H](C)C[C@@]([H])(CC4=N[C@H](C[C@H]5C[C@H](C)C[C@@]6([H])N(C(C)=O)CCC[C@@]56[H])CCC41)[C@@]3([H])C2
InChIInChI=1S/C30H49N3O/c1-18-11-22-16-28-25(23-15-27(22)29(12-18)32(4)17-23)8-7-24(31-28)14-21-10-19(2)13-30-26(21)6-5-9-33(30)20(3)34/h18-19,21-27,29-30H,5-17H2,1-4H3/t18-,19+,21-,22+,23-,24+,25?,26+,27-,29+,30-/m1/s1
InChIKeyZGALAVFQYJOLRQ-NTFZZEKZSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(4As,5R,7S,8aR)-5-[[(1S,5S,9S,11R,13S,17R)-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.02,7.013,17]heptadec-6-en-5-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone (CHEBI:181356) is a organic heterobicyclic compound (CHEBI:27171)
1-[(4As,5R,7S,8aR)-5-[[(1S,5S,9S,11R,13S,17R)-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.02,7.013,17]heptadec-6-en-5-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone (CHEBI:181356) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name 
1-[(4aS,5R,7S,8aR)-5-[[(1S,5S,9S,11R,13S,17R)-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.02,7.013,17]heptadec-6-en-5-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
Manual XrefsDatabases
390912ChemSpider
C09869KEGG COMPOUND