Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(OC3=NC(=NC(=N3)N3CC3)N3CC3)=C4)[C@@H]1CCC2=O
InChIKey
InChIKey=JCBUOSRYPMXDEE-PUFAWVJESA-N
Formula
C25H29N5O2
Mass
431.54
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 Dialkylarylamines Halo-S-triazines Aminotriazines Heteroaromatic compounds Ketones Propargyl-type 1,3-dipolar organic compounds Ethers Carboximidamides Aziridines Azacyclic compounds Organopnictogen compounds Organic oxides Imines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Oxosteroid - 17-oxosteroid - Estrane-skeleton - Phenanthrene - Tetralin - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Halo-s-triazine - Aminotriazine - Amino-1,3,5-triazine - 1,3,5-triazine - Benzenoid - Triazine - Heteroaromatic compound - Tertiary amine - Ketone - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Ether - Aziridine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Amine - Aromatic heteropolycyclic 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