Compound Identification
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.O=C1NCCCN1CCCNC[C@H]1CCC2=CC=CC=C2O1
InChIKey
InChIKey=DYCJDYCGRVTLKJ-KBYGAXRISA-N
Formula
C21H31N3O8
Mass
453.492
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
- 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
1-benzopyrans
Alternative Parents
Alkyl aryl ethers Sugar acids and derivatives Short-chain hydroxy acids and derivatives Aralkylamines Pyrimidones Beta hydroxy acids and derivatives Alpha hydroxy acids and derivatives Benzenoids Diazinanes Dicarboxylic acids and derivatives Fatty acids and conjugates Monosaccharides 1,2-diols Secondary alcohols Ureas Dialkylamines Carboxylic acids Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
1-benzopyran - Pyrimidone - Alkyl aryl ether - Short-chain hydroxy acid - Beta-hydroxy acid - Sugar acid - Aralkylamine - Monosaccharide - Pyrimidine - Hydroxy acid - Fatty acid - Benzenoid - Dicarboxylic acid or derivatives - 1,3-diazinane - Alpha-hydroxy acid - Secondary alcohol - 1,2-diol - Urea - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Oxacycle - Azacycle - Ether - Secondary amine - Alcohol - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
External Descriptors
Not available