Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1CC[C@@]2(O)C#CC1=C(OC2=CC=CC=C2C1=O)C1=CC=CC=C1
InChIKey
InChIKey=CGUPKHDRJRJHOD-XHERZUNTSA-N
Formula
C35H32O4
Mass
516.637
Taxonomic Classification
Taxonomy Tree
-
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
-
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-hydroxysteroids Flavones Phenanthrenes and derivatives Chromones Tetralins 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Ynones Benzene and substituted derivatives Heteroaromatic compounds Tertiary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Estrogen-skeleton - 3-hydroxysteroid - Hydroxysteroid - 17-hydroxysteroid - Flavone - Phenanthrene - Chromone - Benzopyran - 1-benzopyran - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Monocyclic benzene moiety - Benzenoid - Ynone - Pyran - Heteroaromatic compound - Cyclic alcohol - Tertiary alcohol - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - 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