EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216338 - (11R)-7-chloro-11-hydroxy-20-methoxy-N,3-dimethyl-12-oxo-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,14,16,18-octaene-11-carboxamide

ChEBI IDCHEBI:216338
ChEBI Name(11R)-7-chloro-11-hydroxy-20-methoxy-N,3-dimethyl-12-oxo-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,14,16,18-octaene-11-carboxamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H18ClN3O4
Net Charge0
Average Mass423.856
Monoisotopic Mass423.09858
SMILESCNC(=O)[C@@]1(O)C(=O)n2c(c(OC)c3ccccc32)-c2c1c1cc(Cl)ccc1n2C
InChIInChI=1S/C22H18ClN3O4/c1-24-20(27)22(29)16-13-10-11(23)8-9-14(13)25(2)17(16)18-19(30-3)12-6-4-5-7-15(12)26(18)21(22)28/h4-10,29H,1-3H3,(H,24,27)/t22-/m1/s1
InChIKeyZZMBWELYHDIPSE-JOCHJYFZSA-N
ChEBI Ontology
Outgoing Relation(s)
(11R)-7-chloro-11-hydroxy-20-methoxy-N,3-dimethyl-12-oxo-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,14,16,18-octaene-11-carboxamide (CHEBI:216338) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(11R)-7-chloro-11-hydroxy-20-methoxy-N,3-dimethyl-12-oxo-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,14,16,18-octaene-11-carboxamide
Manual XrefsDatabases
78439855ChemSpider