Compound Identification
SMILES
CC1(C)C2=C(C=CC(CC(O)=O)=C2)N2CCC3OC4CC[N+]5=C(C4=CC3=C12)C(C)(C)C1=C5C=CC(=C1)S([O-])(=O)=O
InChIKey
InChIKey=KBBYRHUMTYKEFZ-UHFFFAOYSA-N
Formula
C31H32N2O6S
Mass
560.67
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
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Subclass
Indoles
- Level 5 3-alkylindoles
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Subclass
Indoles
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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
Indoles
Intermediate Tree Nodes
Not available
Direct Parent
3-alkylindoles
Alternative Parents
1-sulfo,2-unsubstituted aromatic compounds Tertiary alkylarylamines Tetrahydropyridines Pyrans Benzenoids Sulfonyls Organosulfonic acids Amino acids Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Enamines Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-alkylindole - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Tertiary aliphatic/aromatic amine - Tetrahydropyridine - Pyran - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Amino acid or derivatives - Amino acid - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Enamine - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Amine - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organic oxygen compound - Carbonyl group - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
External Descriptors
Not available