Compound Identification
SMILES
CC(C)N(CCCN1C(SC2=CC3=C(OCO3)C=C2C2=CC=NN2)=NC2=C1N=CN=C2N)C(=S)NC1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2
InChIKey
InChIKey=LPQCFGJTYNXTLF-UHFFFAOYSA-N
Formula
C42H35N9O7S2
Mass
841.92
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
Diarylthioethers N-phenylthioureas 6-aminopurines Benzodioxoles Benzoic acids Thiophenol ethers Benzoyl derivatives Aminopyrimidines and derivatives 1-hydroxy-2-unsubstituted benzenoids Imidolactams Primary aromatic amines N-substituted imidazoles Heteroaromatic compounds Pyrazoles Cyclic ketones Thioureas Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Carboxylic acids Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthene - Diarylthioether - 6-aminopurine - N-phenylthiourea - Benzodioxole - Benzoic acid or derivatives - Benzoic acid - Imidazopyrimidine - Purine - Aryl thioether - Benzoyl - Thiophenol ether - Aminopyrimidine - 1-hydroxy-2-unsubstituted benzenoid - Imidolactam - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Primary aromatic amine - Pyrimidine - Heteroaromatic compound - Azole - Imidazole - Pyrazole - Amino acid or derivatives - Amino acid - Thiourea - Cyclic ketone - Thioether - Azacycle - Sulfenyl compound - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Organonitrogen compound - Primary amine - Organopnictogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - 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