Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1CC[C@@]2(O)C#CC1=CC(CN(CC(O)=O)CC(O)=O)=NC(CN(CC(O)=O)CC(O)=O)=C1
InChIKey
InChIKey=ASNZLCSGYOKOKE-MXUGPSOYSA-N
Formula
C35H41N3O10
Mass
663.724
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
-
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 17-hydroxysteroids Phenanthrenes and derivatives Tetracarboxylic acids and derivatives Tetralins Alpha amino acids 6-substituted-2-pyridinylmethylamines Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Ynones Tertiary alcohols Heteroaromatic compounds Trialkylamines Cyclic alcohols and derivatives Amino acids Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Estrogen-skeleton - 17-hydroxysteroid - Hydroxysteroid - 3-hydroxysteroid - Phenanthrene - Tetracarboxylic acid or derivatives - Tetralin - Alpha-amino acid or derivatives - Alpha-amino acid - 6-substituted-2-pyridinylmethylamine - 2-pyridylmethylamine - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Benzenoid - Ynone - Pyridine - Heteroaromatic compound - Tertiary alcohol - Cyclic alcohol - Amino acid - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - 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