neopinone (CHEBI:7510)

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ChEBI Name	neopinone

ChEBI ID	CHEBI:7510

Definition	The β,γ-unsaturated ketone resulting from the hydrolysis of the methyl enol ether group of thebaine. It is a key intermediate in the biosynthesis of codeine and morphine in the opium poppy, Papaver somniferum.

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

Supplier Information

Download	Molfile XML SDF

Formula

C18H19NO3

Net Charge

Average Mass

297.34840

Monoisotopic Mass

297.13649

InChI

InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-4,6,12,17H,5,7-9H2,1-2H3/t12-,17+,18+/m1/s1

InChIKey

LJVKMVSYTWPNGA-UUWFMWQGSA-N

SMILES

COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC=C35

Roles Classification
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	neopinone (CHEBI:7510) has parent hydride morphinan (CHEBI:35649) neopinone (CHEBI:7510) is a morphinane alkaloid (CHEBI:25418) neopinone (CHEBI:7510) is a organic heteropentacyclic compound (CHEBI:38164) neopinone (CHEBI:7510) is conjugate base of neopinone(1+) (CHEBI:59950)

Incoming	neopinone(1+) (CHEBI:59950) is conjugate acid of neopinone (CHEBI:7510)

IUPAC Name

3-methoxy-17-methyl-8,14-didehydro-4,5α-epoxymorphinan-6-one

Synonyms	Sources
(5α)-8,14-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-one	ChEBI
neopinon	ChEBI
neopinone	KEGG COMPOUND

Last Modified

27 March 2023