Compound Identification
SMILES
CC(O)=O.C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1CCC2=O.CC1=C(N(CC2=CC=C(OCCN3CCCCCC3)C=C2)C2=C1C=C(O)C=C2)C1=CC=C(O)C=C1
InChIKey
InChIKey=PALFEMACPGOTCZ-CVOFAJGISA-N
Formula
C50H60N2O7
Mass
801.037
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-oxosteroids 3-hydroxysteroids 2-phenylindoles Phenanthrenes and derivatives Phenylpyrroles Tetralins 3-methylindoles Hydroxyindoles N-alkylindoles Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids Azepanes Alkyl aryl ethers Heteroaromatic compounds Ketones Trialkylamines Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Estrogen-skeleton - 3-hydroxysteroid - Hydroxysteroid - 17-oxosteroid - Oxosteroid - 2-phenylindole - Phenanthrene - 2-phenylpyrrole - Tetralin - 3-methylindole - N-alkylindole - Hydroxyindole - 3-alkylindole - Indole - Indole or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Azepane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Tertiary amine - Ketone - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Carboxylic acid - Organooxygen compound - Amine - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen 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