Compound Identification
SMILES
COC(=O)C1=CC2=CC3=C(OC4(CC5=C(O4)C(=O)C4=C(C(O)=C(Br)C(N)=C4O)C5=O)CC3O)C(O)=C2C(=O)O1
InChIKey
InChIKey=CEINKGXRZGBLDM-UHFFFAOYSA-N
Formula
C25H16BrNO12
Mass
602.302
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
- Level 5 Pyranochromenes
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Subclass
1-benzopyrans
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Class
Benzopyrans
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Not available
Direct Parent
Pyranochromenes
Alternative Parents
Naphthofurans Naphthoquinones Isocoumarins and derivatives 2-benzopyrans 1,4-dihydroxy-2-halobenzenoids Quinones 2-bromoanilines Aryl ketones O-bromophenols M-bromophenols 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Ketals Primary aromatic amines Aryl bromides Vinylogous esters Vinylogous acids Dihydrofurans Heteroaromatic compounds Methyl esters Secondary alcohols Amino acids and derivatives Lactones Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organopnictogen compounds Organobromides Organic oxides Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyranochromene - Naphthofuran - Naphthoquinone - Isocoumarin - 2-benzopyran - Naphthalene - 1,4-dihydroxy-2-halobenzenoid - Quinone - 2-bromoaniline - Aryl ketone - 2-bromophenol - 3-bromophenol - 1-hydroxy-4-unsubstituted benzenoid - Ketal - Pyranone - Primary aromatic amine - Benzenoid - Aryl bromide - Aryl halide - Pyran - Methyl ester - Dihydrofuran - Vinylogous acid - Vinylogous ester - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Ketone - Lactone - Secondary alcohol - Polyol - Acetal - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Amine - Aldehyde - Organic oxide - Organopnictogen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyranochromenes. These are organic heterocyclic compounds containing a pyran ring fused to a chromene (1-benzopyran) moiety.
External Descriptors
Not available