cephalotaxine (CHEBI:3540)

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ChEBI Name	cephalotaxine

ChEBI ID	CHEBI:3540

Definition	A benzazepine alkaloid isolated from Cephalotaxus harringtonia.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C18H21NO4

Net Charge

Average Mass

315.36368

Monoisotopic Mass

315.14706

InChI

InChI=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

InChIKey

YMNCVRSYJBNGLD-KURKYZTESA-N

SMILES

[H][C@@]12[C@H](O)C(OC)=C[C@@]11CCCN1CCc1cc3OCOc3cc21

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

ChEBI Ontology
Outgoing	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	omacetaxine mepesuccinate (CHEBI:71019) has functional parent cephalotaxine (CHEBI:3540)

IUPAC Name

cephalotaxine

Synonyms	Sources
(-)-Cephalotaxine	ChemIDplus
(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-ol	IUPAC
Cephalotaxine	KEGG COMPOUND

Last Modified

28 July 2014