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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
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Subclass
1-benzopyrans
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Level 5
Dibenzopyrans
- Level 6 Xanthenes
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Level 5
Dibenzopyrans
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Subclass
1-benzopyrans
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Class
Benzopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Dibenzopyrans
Direct Parent
Xanthenes
Alternative Parents
Hippuric acids N-acyl-alpha amino acids Pterins and derivatives Diarylethers Aminobenzamides Benzofuranones Phthalides Isobenzofurans Aniline and substituted anilines Benzoyl derivatives Medium-chain fatty acids Phenylalkylamines Aminopyrimidines and derivatives 1-hydroxy-2-unsubstituted benzenoids Heterocyclic fatty acids Pyrimidones Hydroxy fatty acids Secondary alkylarylamines Vinylogous amides Heteroaromatic compounds Thioureas Amino acids Carboxylic acid esters Secondary carboxylic acid amides Lactones Ketimines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Primary amines Organic oxides Hydrocarbon derivatives
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