CHEBI:126403 - 1-[(1R,2aS,8bS)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-(2-pyridinyl)ethanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(1R,2aS,8bS)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-(2-pyridinyl)ethanone
ChEBI ID CHEBI:126403
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H25N3O4
Net Charge 0
Average Mass 443.495
Monoisotopic Mass 443.18451
InChI InChI=1S/C26H25N3O4/c1-33-19-11-9-17(10-12-19)26(32)28-15-22-25(20-7-2-3-8-21(20)28)23(16-30)29(22)24(31)14-18-6-4-5-13-27-18/h2-13,22-23,25,30H,14-16H2,1H3/t22-,23+,25+/m1/s1
InChIKey DGLFMVGGHBCJKX-CUYJMHBOSA-N
SMILES COC1=CC=C(C=C1)C(=O)N2C[C@@H]3[C@@H]([C@@H](N3C(=O)CC4=CC=CC=N4)CO)C5=CC=CC=C52
ChEBI Ontology
Outgoing 1-[(1R,2aS,8bS)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-(2-pyridinyl)ethanone (CHEBI:126403) is a quinolines (CHEBI:26513)
Manual Xref Database
LSM-37968 LINCS
View more database links