Compound Identification
SMILES
COC1=C(O)C=C2C(C[C@H]3[C@@H]4CCC(=NO)[C@@]4(C)CC[C@@H]3C2=C1)=NOCC1=CC=C(C=C1)C(C)C
InChIKey
InChIKey=RQAFEWKTBPBXMN-JNHDWVHJSA-N
Formula
C29H36N2O4
Mass
476.617
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 Phenanthrenes and derivatives Tetralins Aromatic monoterpenoids Phenylpropanes Cumenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Oximes Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Estrogen-skeleton - 3-hydroxysteroid - Hydroxysteroid - Phenanthrene - P-cymene - Tetralin - Phenylpropane - Cumene - Anisole - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Oxime - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - 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