Compound Identification
SMILES
COC(=O)C1=C(C)NC2=C(OC(=O)N(C)C)C=C3N(C[C@@H](CBr)C3=C12)C(=O)\C=C\C1=CC(OCC(=O)OC(C)(C)C)=C(OC)C=C1
InChIKey
InChIKey=TTXKAGMTROTGPU-ZAHGZRRWSA-N
Formula
C33H38BrN3O9
Mass
700.583
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
- Subclass Pyrroloindoles
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Class
Indoles and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Pyrroloindoles
Intermediate Tree Nodes
Not available
Direct Parent
Pyrroloindoles
Alternative Parents
Cinnamic acids and derivatives Indolecarboxylic acids and derivatives Phenoxyacetic acid derivatives Indoles Styrenes Pyrrole carboxylic acids and derivatives Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Substituted pyrroles Methyl esters Tertiary carboxylic acid amides Carbamate esters Heteroaromatic compounds Vinylogous amides Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Alkyl bromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Indolecarboxylic acid derivative - Pyrroloindole - Phenoxyacetate - Indole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Pyrrole-3-carboxylic acid or derivatives - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carbamic acid ester - Pyrrole - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Ether - Azacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organobromide - Organic oxide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Alkyl bromide - Organic nitrogen compound - Organic oxygen compound - Alkyl halide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrroloindoles. These are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
External Descriptors
Not available