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CHEBI:7509 - neopine

ChEBI IDCHEBI:7509
ChEBI Nameneopine
Stars
DefinitionA morphinane alkaloid that is the Δ8,14 isomer of codeine. It is a minor constituent in opium from Papaver somniferum.
Last Modified5 January 2023
DownloadsMolfile
FormulaC18H21NO3
Net Charge0
Average Mass299.370
Monoisotopic Mass299.15214
SMILESCOc1ccc2c3c1O[C@H]1[C@@H](O)CC=C4[C@@H](C2)N(C)CC[C@]431
InChIInChI=1S/C18H21NO3/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/h3-4,6,12-13,17,20H,5,7-9H2,1-2H3/t12-,13+,17+,18+/m1/s1
InChIKeyNNDKZTBFZTWKLA-QISBLDNZSA-N
Species of MetaboliteComponentSourceComments
Papaver somniferum (ncbitaxon:3469) - DOI (10.1080/00397917908064183)
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)
neopine (CHEBI:7509) is a morphinane alkaloid (CHEBI:25418)
neopine (CHEBI:7509) is a organic heteropentacyclic compound (CHEBI:38164)
neopine (CHEBI:7509) is conjugate base of neopine(1+) (CHEBI:194190)
Incoming Relation(s)
neopine(1+) (CHEBI:194190) is conjugate acid of neopine (CHEBI:7509)
IUPAC Name 
3-methoxy-17-methyl-5α-8,14-didehydro-4,5-epoxymorphinan-6α-ol
Synonyms  Source
neopinNIST Chemistry WebBook
β-codeineNIST Chemistry WebBook
(5α,6α)-8,14-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-olChEBI
(−)-neopineChEBI
Manual XrefsDatabases
C09594KEGG COMPOUND
C00001893KNApSAcK
LSM-20936LINCS
HMDB0030248HMDB
Registry NumbersSources
CAS:467-14-1KEGG COMPOUND
CAS:467-14-1NIST Chemistry WebBook
Citations