Compound Identification
SMILES
CO[C@H]1C[C@H](C)CC2=C(NCC#CCC[C@@H]3C[C@H]4[C@@H]5CCc6cc(O)ccc6[C@H]5CC[C@]4(C)[C@H]3O)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O
InChIKey
InChIKey=ICPLDAGNUBFYDI-RRMLGFFMSA-N
Formula
C51H67N3O10
Mass
882.108
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 17-hydroxysteroids Phenanthrenes and derivatives Macrolactams Cyclohexylphenols Tetralins 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Alpha-branched alpha,beta-unsaturated ketones Vinylogous amides Enones Carbamate esters Acryloyl compounds Secondary alcohols Organic carbonic acids and derivatives Lactams Cyclic ketones Cyclic alcohols and derivatives Haloacetylenes and derivatives Dialkylamines Dialkyl ethers Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Estrogen-skeleton - 17-hydroxysteroid - Hydroxysteroid - 3-hydroxysteroid - Phenanthrene - Macrolactam - Cyclohexylphenol - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - N-acyl-amine - Vinylogous amide - Alpha,beta-unsaturated ketone - Carbamic acid ester - Enone - Cyclic alcohol - Acryloyl-group - Cyclic ketone - Secondary alcohol - Carbonic acid derivative - Lactam - Ketone - Carboxamide group - Amino acid or derivatives - Haloacetylene or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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