EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:9951 - veratramine

ChEBI IDCHEBI:9951
ChEBI Nameveratramine
Stars
DefinitionA piperidine alkaloid comprising the 14,15,16,17-tetradehydro derivative of veratraman having two hydroxy groups at the 3- and 23-positions.
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H39NO2
Net Charge0
Average Mass409.614
Monoisotopic Mass409.29808
SMILES[H][C@@]1([C@@H](C)c2ccc3c(c2C)C[C@]2([H])[C@@]4(C)CC[C@H](O)CC4=CC[C@@]32[H])NC[C@@H](C)C[C@H]1O
InChIInChI=1S/C27H39NO2/c1-15-11-25(30)26(28-14-15)17(3)20-7-8-21-22-6-5-18-12-19(29)9-10-27(18,4)24(22)13-23(21)16(20)2/h5,7-8,15,17,19,22,24-26,28-30H,6,9-14H2,1-4H3/t15-,17-,19-,22-,24-,25+,26-,27-/m0/s1
InChIKeyMALFODICFSIXPO-KFKQDBFTSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
veratramine (CHEBI:9951) has parent hydride veratraman (CHEBI:36374)
veratramine (CHEBI:9951) is a piperidine alkaloid (CHEBI:26147)
IUPAC Name 
(3β,23R)-14,15,16,17-tetradehydroveratraman-3,23-diol
Synonyms  Source
VeratramineKEGG COMPOUND
(3β,23β)-14,15,16,17-tetradehydroveratraman-3,23-diolChemIDplus
Manual XrefsDatabases
C10829KEGG COMPOUND
C00002270KNApSAcK
Registry NumbersSources
Reaxys:55515Reaxys
CAS:60-70-8KEGG COMPOUND
CAS:60-70-8ChemIDplus