Compound Identification
SMILES
COC12C3C(CN1C1=C(C2COC(N)=O)C(=O)C(N)=C(C)C1=O)N3C(=O)CCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(C=CC(OC(=O)C5=CC=CC=C5)=C4)[C@H]3CC[C@]12C
InChIKey
InChIKey=RLPWTQPGDKWFJP-HWMRDWNLSA-N
Formula
C45H50N4O10
Mass
806.913
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
- Subclass Steroid esters
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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
Steroid esters
Intermediate Tree Nodes
Not available
Direct Parent
Steroid esters
Alternative Parents
Mitomycins Estrane steroids Phenanthrenes and derivatives Tetralins Benzoic acid esters Phenol esters Indoles Quinones Benzoyl derivatives Pyrrolizines Piperazines Tertiary carboxylic acid amides Carbamate esters Vinylogous amides Pyrrolines Pyrrolidines Carboxylic acid esters Azacyclic compounds Aziridines Monocarboxylic acids and derivatives Enamines Monoalkylamines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Steroid ester - Mitomycin - Estrane-skeleton - Mitosane core - Phenanthrene - Indolequinone - Phenol ester - Benzoate ester - Tetralin - Indole - Indole or derivatives - Benzoic acid or derivatives - Quinone - Pyrrolizine - Benzoyl - Monocyclic benzene moiety - Piperazine - 1,4-diazinane - Benzenoid - Carbamic acid ester - Tertiary carboxylic acid amide - Pyrroline - Pyrrolidine - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Aziridine - Organoheterocyclic compound - Enamine - Azacycle - Carboxylic acid derivative - Primary aliphatic amine - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Primary amine - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as steroid esters. These are compounds containing a steroid moiety which bears a carboxylic acid ester group.
External Descriptors
Not available