Compound Identification
SMILES
C[C@@H](CC1=CCC[C@](C)(C=C)[C@H]1C(=C)C=O)OC(=O)C1=CC2=C(OCO2)C2=C1C(=CC1=CC=CC=C21)[N+]([O-])=O
InChIKey
InChIKey=IIBMSRRBRIHDMP-MYXMROBTSA-N
Formula
C31H29NO7
Mass
527.573
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 Nitroaromatic compounds Enals Carboxylic acid esters Organic oxoazanium compounds Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Aldehydes Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aristolochic acid or derivatives - 1-naphthalenecarboxylic acid or derivatives - 1-nitronaphthalene - 2-nitronaphthalene - Aromatic monoterpenoid - Monoterpenoid - Naphthalene - Benzodioxole - Nitroaromatic compound - Alpha,beta-unsaturated aldehyde - Enal - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Acetal - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organopnictogen compound - Organic oxide - Carbonyl group - Aldehyde - Organonitrogen compound - Organooxygen 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