Compound Identification
SMILES
OC(=O)C1=CC(O)=C(O)C2=C3C=CC=C(O)C3=CC(=C12)[N+]([O-])=O
InChIKey
InChIKey=PRUWEZPTRAKXLQ-UHFFFAOYSA-N
Formula
C15H9NO7
Mass
315.237
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenanthrenes and derivatives
- Subclass Aristolochic acids and derivatives
-
Class
Phenanthrenes and derivatives
-
Superclass
Benzenoids
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
Phenanthrols Naphthalenecarboxylic acids Nitronaphthalenes Naphthols and derivatives Hydroxybenzoic acid derivatives Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Organic oxoazanium compounds Polyols Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organic salts Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Aristolochic acid or derivatives - Phenanthrol - 1-naphthalenecarboxylic acid or derivatives - 1-naphthalenecarboxylic acid - 2-nitronaphthalene - 1-nitronaphthalene - 2-naphthol - 1-naphthol - Dihydroxybenzoic acid - Naphthalene - Hydroxybenzoic acid - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - C-nitro compound - Organic nitro compound - Polyol - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homopolycyclic 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