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-HYUVJKPGSA-N
Formula
C32H31NO8
Mass
557.599
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenanthrenes and derivatives
- Subclass Aristolochic acids and derivatives
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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
Naphthalenecarboxylic acids and derivatives Nitronaphthalenes Aromatic monoterpenoids Benzodioxoles Anisoles Nitroaromatic compounds Alkyl aryl ethers Enals Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organic salts Aldehydes Organic cations
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