Protopine

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Systematic / IUPAC Name: 7-Methyl-6,8,9,16-tetrahydrobis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-15(7H)-one

ID: Reference564

Other Names: 7,13a-Secoberbin-13a-one, 7-methyl-2,3:9,10-bis(methylenedioxy)-;
7-Methyl-2,3:9,10-bis(methylenedioxy)-7,13a-secoberbin-13a-one;
Fumarine;
Biflorine;
Corydinine ; more

Formula: C20H19NO5

Class: Endogenous Metabolites

Spectral Data

Protopine 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 Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 139
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 2/6/2015 11:04:38 AM
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Identificators

InChI InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3
InChI Key GPTFURBXHJWNHR-UHFFFAOYSA-N
Canonical SMILES CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3
CAS 130869
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Other Names 7,13a-Secoberbin-13a-one, 7-methyl-2,3:9,10-bis(methylenedioxy)-;
7-Methyl-2,3:9,10-bis(methylenedioxy)-7,13a-secoberbin-13a-one;
Fumarine;
Biflorine;
Corydinine;
Macleyine;
Protopin;
Hypercorine

In Other Databases

ChEMBL CHEMBL453019
HMDb HMDB03920
ChEBI CHEBI:16415
ChemIDPlus 000130869
PubChem 4970
ChemSpider 4799
KEGG C05189