EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:106826 - (3S,9S,10S)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one

ChEBI IDCHEBI:106826
ChEBI Name(3S,9S,10S)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
Stars
DownloadsMolfile
FormulaC25H43N3O4
Net Charge0
Average Mass449.636
Monoisotopic Mass449.32536
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C)OCCCC[C@H](C)Oc2ccc(N(C)C)cc2C1=O
InChIInChI=1S/C25H43N3O4/c1-18-15-28(19(2)17-29)25(30)22-14-21(27(6)7)11-12-23(22)32-20(3)10-8-9-13-31-24(18)16-26(4)5/h11-12,14,18-20,24,29H,8-10,13,15-17H2,1-7H3/t18-,19+,20-,24+/m0/s1
InChIKeyPQNWFIFCFFWMJI-CMCWBKRRSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,9S,10S)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:106826) is a azamacrocycle (CHEBI:52898)
(3S,9S,10S)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:106826) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-18181LINCS