Structure Information
Structure

Compound Identification

SMILES

NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCCCNC(=S)NC3=CC4=C(C=C3)C3(OC4=O)C4=C(OC5=C3C=CC(O)=C5)C=C(O)C=C4)C(O)=O)=N2)N1

InChIKey

InChIKey=QOQGWHNDQWMTDJ-PMERELPUSA-N

Formula

C41H37N9O9S

Mass

831.86

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzopyrans

Subclass

1-benzopyrans

Intermediate Tree Nodes

Dibenzopyrans

Direct Parent

Xanthenes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Xanthene - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Pterin - Diaryl ether - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Isobenzofuranone - Phthalide - Benzofuranone - Pteridine - Benzoic acid or derivatives - Benzamide - Isobenzofuran - Isocoumaran - Phenylalkylamine - Aniline or substituted anilines - Benzoyl - Medium-chain fatty acid - Hydroxy fatty acid - Secondary aliphatic/aromatic amine - Pyrimidone - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Aminopyrimidine - Heterocyclic fatty acid - Fatty acid - Fatty acyl - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxamide group - Lactone - Ketimine - Carboxylic acid ester - Thiourea - Secondary carboxylic acid amide - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Imine - Organic oxide - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.

External Descriptors

Not available

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