Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC2=C3C4=C(OCO4)C=C(C(=O)O[C@@H](C)CC4=CCC[C@](C)(C=C)[C@@H]4C(=C)C=O)C3=C(C=C12)[N+]([O-])=O

InChIKey

InChIKey=XXQZGCCUBVSBKJ-ZUECTMELSA-N

Formula

C32H31NO8

Mass

557.599

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenanthrenes and derivatives

Subclass

Aristolochic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Aristolochic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aristolochic acid or derivatives - 1-naphthalenecarboxylic acid or derivatives - 1-nitronaphthalene - 2-nitronaphthalene - Monoterpenoid - Aromatic monoterpenoid - Naphthalene - Benzodioxole - Nitroaromatic compound - Anisole - Alkyl aryl ether - Enal - Alpha,beta-unsaturated aldehyde - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Organic oxoazanium - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Ether - Acetal - Organic nitrogen compound - Aldehyde - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as aristolochic acids and derivatives. These are organic heterocyclic compounds with a structure characterized by a nitrophenanthro[3,4-d][1,3]dioxole ring system substituted at position 5, 6, and 8 by a carboxyl group (or a derivative thereof), a nitro group, and a methoxy group, respectively.

External Descriptors

Not available

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