Compound Identification
SMILES
COC(=O)C1=C(NC2=C(O)C=C3N(C[C@@H](CCl)C3=C12)C(=O)\C=C\C1=CC(OC)=C(\C=C\C(=O)N2C[C@@H](CCl)C3=C4C(NC(=C4C(=O)OC)C(F)(F)F)=C(O)C=C23)C=C1OC)C(F)(F)F
InChIKey
InChIKey=WABDQVZHUZCQCG-MJWVAZLDSA-N
Formula
C42H34Cl2F6N4O10
Mass
939.64
Taxonomic Classification
Taxonomy Tree
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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 Dimethoxybenzenes Hydroxyindoles Indoles Styrenes Pyrrole carboxylic acids and derivatives Anisoles Phenoxy compounds Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles Methyl esters Heteroaromatic compounds Vinylogous amides Tertiary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Alkyl fluorides Alkyl chlorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Indolecarboxylic acid derivative - Pyrroloindole - Hydroxyindole - P-dimethoxybenzene - Dimethoxybenzene - Indole - Anisole - Phenoxy compound - Phenol ether - Pyrrole-3-carboxylic acid or derivatives - Methoxybenzene - Styrene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Substituted pyrrole - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Pyrrole - Heteroaromatic compound - Methyl ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Ether - Alkyl fluoride - Organic oxygen compound - Organic oxide - Alkyl chloride - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Alkyl halide - Organooxygen compound - Hydrocarbon derivative - 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