Compound Identification
SMILES
COC(=O)[C@@]12CC(=O)CC[C@]11N(CCCC3=CC(OC)=C(OC)C=C13)C(=O)[C@@H]2OS(C)(=O)=O
InChIKey
InChIKey=JLJRNTNTUKYQHO-YUXAGFNASA-N
Formula
C22H27NO9S
Mass
481.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Erythrina alkaloids
- Subclass Homoerythrinane alkaloids
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Class
Erythrina alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Erythrina alkaloids
Subclass
Homoerythrinane alkaloids
Intermediate Tree Nodes
Not available
Direct Parent
Homoerythrinane alkaloids
Alternative Parents
Benzazepines Indoles and derivatives Anisoles Pyrrolidine carboxylic acids Alkyl aryl ethers Azepines Sulfonic acid esters Pyrrolidine-2-ones Organosulfonic acid esters N-alkylpyrrolidines Tertiary carboxylic acid amides Sulfonyls Methanesulfonates Methyl esters Cyclic ketones Lactams Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Homoerythrinane skeleton - Benzazepine - Indole or derivatives - Anisole - Phenol ether - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Azepine - Alkyl aryl ether - Benzenoid - N-alkylpyrrolidine - Organosulfonic acid ester - Sulfonic acid ester - 2-pyrrolidone - Pyrrolidone - Methyl ester - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Methanesulfonate - Cyclic ketone - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as homoerythrinane alkaloids. These are erythrina alkaloids predominantly possessing a 6-5-7-6-membered indolobenzazepine skeleton or a derivative thereof.
External Descriptors
Not available