Compound Identification
SMILES
CC12CCCC1C1=C(C(=O)C2)C2=C(C=C1)C=C(OC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C=C2
InChIKey
InChIKey=WUXJXODVXRKBCJ-UHFFFAOYSA-N
Formula
C25H21NO5
Mass
415.445
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Estrane steroids
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Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Estrane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Estrane steroids
Alternative Parents
11-oxosteroids Delta-7-steroids Phenanthrenes and derivatives Nitrobenzoic acids and derivatives Tetralins Naphthalenes Benzoic acid esters Phenol esters Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Aryl alkyl ketones Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Estrane-skeleton - 11-oxosteroid - Oxosteroid - Delta-7-steroid - Phenanthrene - Nitrobenzoate - Benzoate ester - Naphthalene - Phenol ester - Tetralin - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Aryl ketone - Benzenoid - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Ketone - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organic cation - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as estrane steroids. These are steroids with a structure based on the estrane skeleton.
External Descriptors
Not available