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Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C2=C(CC(=O)C3=CC4=C(OCO4)C=C3CCN(C)C2)C=C1.COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C

InChIKey

InChIKey=KYMQQBVHGSKTOF-UHFFFAOYSA-N

Formula

C42H49N3O12

Mass

787.863

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Protopine alkaloids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Protopine alkaloids

Alternative Parents

Molecular Framework

Not available

Substituents

Protopine skeleton - Nitrobenzene - Benzodioxole - Dihydropyridinecarboxylic acid derivative - Nitroaromatic compound - Anisole - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Dihydropyridine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Hydropyridine - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Vinylogous amide - Tertiary aliphatic amine - Ketone - C-nitro compound - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Organic nitro compound - Acetal - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Enamine - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Organopnictogen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aldehyde - Organic nitrogen compound - Organic zwitterion - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as protopine alkaloids. These are alkaloids with a structure based on a tricyclic protopine formed by oxidative ring fission of protoberberine N-metho salts.

External Descriptors

Not available

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