Compound Identification
SMILES
CCC1=C(CC2=CC(C)=CC(C)=C2)N(COCC2=CC=C(C=C2)C#C[C@@]2(O)CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@H]5[C@@H]4CC[C@@]23CC)C(=O)NC1=O
InChIKey
InChIKey=ZEWMITGOOOKYQY-MDXAPUPWSA-N
Formula
C44H52N2O5
Mass
688.909
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
17-hydroxysteroids 3-oxo delta-4-steroids Delta-4-steroids m-Xylenes Cyclohexenones Pyrimidones Hydropyrimidines Ynones Heteroaromatic compounds Vinylogous amides Tertiary alcohols Lactams Ureas Cyclic alcohols and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Estrogen-skeleton - 3-oxo-delta-4-steroid - 3-oxosteroid - Hydroxysteroid - Oxosteroid - 17-hydroxysteroid - Delta-4-steroid - M-xylene - Xylene - Cyclohexenone - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Benzenoid - Ynone - Cyclic alcohol - Heteroaromatic compound - Vinylogous amide - Tertiary alcohol - Lactam - Ketone - Cyclic ketone - Urea - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Alcohol - Aromatic heteropolycyclic 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