EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:120918 - 8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one

ChEBI IDCHEBI:120918
ChEBI Name8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one
Stars
ASCII Name8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one
DefinitionA member of the class of coumarins that is 5,7-dimethoxy-2H-chromen-2-one substituted by a pentyl group and a 1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl group at positions 4 and 8, respectively.
Last Modified25 September 2019
DownloadsMolfile
FormulaC31H42N2O4
Net Charge0
Average Mass506.687
Monoisotopic Mass506.31446
SMILESCCCCCc1cc(=O)oc2c(C(CCN3CCCC3)c3ccc(N(C)C)cc3)c(OC)cc(OC)c12
InChIInChI=1S/C31H42N2O4/c1-6-7-8-11-23-20-28(34)37-31-29(23)26(35-4)21-27(36-5)30(31)25(16-19-33-17-9-10-18-33)22-12-14-24(15-13-22)32(2)3/h12-15,20-21,25H,6-11,16-19H2,1-5H3
InChIKeyUJMMJZCCXLJDEZ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one (CHEBI:120918) is a aromatic ether (CHEBI:35618)
8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one (CHEBI:120918) is a coumarins (CHEBI:23403)
8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one (CHEBI:120918) is a pyrrolidines (CHEBI:38260)
8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one (CHEBI:120918) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one
Synonyms  Source
8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-1-benzopyran-2-oneIUPAC
8-[1-[4-(dimethylamino)phenyl]-3-(1-pyrrolidinyl)propyl]-5,7-dimethoxy-4-pentyl-1-benzopyran-2-oneChEBI
Manual XrefsDatabases
LSM-32361LINCS