Compound Identification
SMILES
CC12CCC3C(CCC4=C(C(O)=C(C=C34)[N+]([O-])=O)[N+]([O-])=O)C1CC(O)C2O
InChIKey
InChIKey=LBVHZIPPKRHSGT-UHFFFAOYSA-N
Formula
C18H22N2O7
Mass
378.381
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Estrane steroids
- Level 5 Estrogens and derivatives
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Subclass
Estrane steroids
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Class
Steroids and steroid derivatives
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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
Estrogens and derivatives
Alternative Parents
3-hydroxysteroids 17-hydroxysteroids 16-hydroxysteroids Phenanthrenes and derivatives Nitronaphthalenes Tetralins Nitroaromatic compounds Secondary alcohols Cyclic alcohols and derivatives 1,2-diols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Estrogen-skeleton - 17-hydroxysteroid - 16-hydroxysteroid - Hydroxysteroid - 3-hydroxysteroid - Phenanthrene - 2-nitronaphthalene - 1-nitronaphthalene - Tetralin - Nitroaromatic compound - Benzenoid - Cyclic alcohol - Organic nitro compound - Secondary alcohol - C-nitro compound - 1,2-diol - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Polyol - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane.
External Descriptors
Not available