Sinomenine

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Systematic / IUPAC Name: (9α,13α,14α)-4-Hydroxy-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one

ID: Reference5852

Other Names: Coculine;
Cucoline;
Cuculine;
Kukoline;
Sabianine A ; more

Formula: C19H23NO4

Class: Endogenous Metabolites

Spectral Data

Sinomenine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/27/2016 12:02:29 PM
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Identificators

InChI InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13+,19-/m1/s1
InChI Key INYYVPJSBIVGPH-QHRIQVFBSA-N
Canonical SMILES CN1CCC23CC(=O)C(=CC2C1CC4=C3C(=C(C=C4)OC)O)OC
CAS
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Other Names Coculine;
Cucoline;
Cuculine;
Kukoline;
Sabianine A;
SNM;
(9α,13α,14α)-7,8-Didehydro-4-hydroxy-3,7-dimethoxy-17-methylmorphinan-6-one;
4-Hydroxy-3,7-dimethoxy-17-methylmorphin-7-en-6-one;
7,8-Didehydro-4-hydroxy-3,7-dimethoxy-17-methyl-9-α,13-α,14-α-morphinan-6-one;
7,8-Didehydro-4-hydroxy-3,7-dimethoxy-17-methylmorphinan-6-one;
9-α,13-α,14-α-Morphinan-6-one, 7,8-didehydro-4-hydroxy-3,7-dimethoxy-17-methyl-;
NSC 76021

In Other Databases

Wikipedia Sinomenine
ChEMBL CHEMBL248095
PubChem 5459308
ChemSpider 10179905
ChEBI CHEBI:9163
KEGG C09643