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CHEBI:3540 - cephalotaxine

Default Structure
ChEBI IDCHEBI:3540
ChEBI Namecephalotaxine
Stars
DefinitionA benzazepine alkaloid isolated from Cephalotaxus harringtonia.
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H21NO4
Net Charge0
Average Mass315.369
Monoisotopic Mass315.14706
SMILES[H][C@]12c3cc4c(cc3CCN3CCC[C@@]31C=C(OC)[C@H]2O)OCO4
InChIInChI=1S/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17-,18+/m1/s1
InChIKeyYMNCVRSYJBNGLD-KURKYZTESA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
cephalotaxine (CHEBI:3540) is a benzazepine alkaloid (CHEBI:38523)
cephalotaxine (CHEBI:3540) is a benzazepine alkaloid fundamental parent (CHEBI:38527)
cephalotaxine (CHEBI:3540) is a cyclic acetal (CHEBI:59770)
cephalotaxine (CHEBI:3540) is a enol ether (CHEBI:47985)
cephalotaxine (CHEBI:3540) is a organic heteropentacyclic compound (CHEBI:38164)
cephalotaxine (CHEBI:3540) is a secondary alcohol (CHEBI:35681)
cephalotaxine (CHEBI:3540) is a tertiary amino compound (CHEBI:50996)
Incoming Relation(s)
omacetaxine mepesuccinate (CHEBI:71019) has functional parent cephalotaxine (CHEBI:3540)
IUPAC Name 
cephalotaxine
Synonyms  Source
(1S,3aR,14bS)-2-methoxy-1,5,6,8,9,14b-hexahydro-4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-1-olIUPAC
(-)-CephalotaxineChemIDplus
CephalotaxineKEGG COMPOUND
Manual XrefsDatabases
C00002324KNApSAcK
C00027319KNApSAcK
C10580KEGG COMPOUND
Registry NumbersSources
Reaxys:628324Reaxys
CAS:24316-19-6KEGG COMPOUND
CAS:24316-19-6ChemIDplus