EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:41790 - (3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-3A,4,9,9A-TETRAHYDRO-4,9[1',2']-BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)-DIONE

Default Structure
ChEBI IDCHEBI:41790
ChEBI Name(3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-3A,4,9,9A-TETRAHYDRO-4,9[1',2']-BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)-DIONE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC24H25NO3
Net Charge0
Average Mass375.468
Monoisotopic Mass375.18344
SMILES[H]OC([H])([H])[C@]12c3c([H])c([H])c([H])c([H])c3[C@]([H])(c3c([H])c([H])c([H])c([H])c31)[C@]1([H])C(=O)N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(=O)[C@]21[H]
InChIInChI=1S/C24H25NO3/c1-2-3-8-13-25-22(27)20-19-15-9-4-6-11-17(15)24(14-26,21(20)23(25)28)18-12-7-5-10-16(18)19/h4-7,9-12,19-21,26H,2-3,8,13-14H2,1H3/t19-,20-,21+,24+/m0/s1
InChIKeyZXWOIFZYPFUNNQ-VMIIQTFKSA-N
ChEBI Ontology
Outgoing Relation(s)
(3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-3A,4,9,9A-TETRAHYDRO-4,9[1',2']-BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)-DIONE (CHEBI:41790) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(15S,19S)-1-(hydroxymethyl)-17-pentyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)PDBeChem
(3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-3A,4,9,9A-TETRAHYDRO-4,9[1',2']-BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)-DIONEPDBeChem
Manual XrefsDatabases
DAIPDBeChem