Compound Identification
SMILES
CN(C)N=NC1=CC=C(C=C1)C(=O)OC1=CC2=C(C=C1)C1CCC3(C)C(CCC3=O)C1CC2
InChIKey
InChIKey=PPFLINAJRLNESO-UHFFFAOYSA-N
Formula
C27H31N3O3
Mass
445.563
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
17-oxosteroids Phenanthrenes and derivatives Tetralins Phenol esters Benzoic acid esters Benzoyl derivatives Ketones Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Estrane-skeleton - Oxosteroid - 17-oxosteroid - Phenanthrene - Benzoate ester - Tetralin - Phenol ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - 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