Compound Identification
SMILES
CCC12CCC(=O)CC1(N)CCC1C3CCC(=[U-])[C@@]3(C)CCC21
InChIKey
InChIKey=MFGROXGLWUTSFB-HLHHEBSESA-N
Formula
C20H31NOU
Mass
539.503
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Estrane steroids
- Level 5 Estrogens and derivatives
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Subclass
Estrane steroids
-
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
Estrogens and derivatives
Alternative Parents
3-oxosteroids Cyclic ketones Organopnictogen compounds Organometallic compounds Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Organic anions
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Estrogen-skeleton - Oxosteroid - 3-oxosteroid - Cyclic ketone - Ketone - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Primary amine - Organooxygen compound - Organonitrogen compound - Organometallic compound - Primary aliphatic amine - Carbonyl group - Amine - Organic anion - Aliphatic 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