Structure Information
Structure

Compound Identification

SMILES

CCCCC(=O)OC1=CC2=C(C=C1)C1=C(CN3CCC[C@H]3C1)C1=CC(OC)=C(OC)C=C21

InChIKey

InChIKey=MDBUQGQXMSFOAA-KRWDZBQOSA-N

Formula

C27H31NO4

Mass

433.548

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenanthrenes and derivatives

Subclass

Phenanthroindolizidines

Intermediate Tree Nodes

Not available

Direct Parent

Phenanthroindolizidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenanthroindolizidine - Naphthalene - Phenol ester - Tetrahydroisoquinoline - Indolizidine - Anisole - Phenol ether - Alkyl aryl ether - Fatty acid ester - Aralkylamine - Fatty acyl - N-alkylpyrrolidine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Ether - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenanthroindolizidines. These are aromatic polycyclic compounds containing the phenanthroindolizidine skeleton, which is structurally characterized by an indolizidine and a phenanthrene, where the indolizidine is fused to the second benzene ring of a phenanthrene.

External Descriptors

Not available

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