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CHEBI:23359 - colchicine

ChEBI IDCHEBI:23359
ChEBI Namecolchicine
Stars
DefinitionAn alkaloid that is a carbotricyclic compound comprising 5,6,7,9-tetrahydrobenzo[a]heptalene having four methoxy substituents at the 1-, 2-, 3- and 10-positions as well as an oxo group at the 9-position and an acetamido group at the 7-position. It has been isolated from the plants belonging to genus Colchicum.
Last Modified25 February 2016
DownloadsMolfile

FormulaC22H25NO6
Net Charge0
Average Mass399.443
Monoisotopic Mass399.16819
SMILESCOc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2
InChIInChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)
InChIKeyIAKHMKGGTNLKSZ-UHFFFAOYSA-N

Roles Classification

ChEBI Ontology
IUPAC Name 
N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
Manual XrefsDatabases
DB01394DrugBank
HMDB0015466HMDB
LSM-6449LINCS
Registry NumbersSources
Reaxys:2228812Reaxys
CAS:54192-66-4NIST Chemistry WebBook
Citations