Compound Identification
SMILES
CCN(CC)C1=CC=C(NC=C2C(=O)C(C)(C)OC3=C2C2=C(C=CC(=O)O2)C=C3)C=C1
InChIKey
InChIKey=NBHPVQHQKBEWQW-UHFFFAOYSA-N
Formula
C25H26N2O4
Mass
418.493
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Coumarins and derivatives
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Subclass
Pyranocoumarins
- Level 5 Angular pyranocoumarins
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Subclass
Pyranocoumarins
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Class
Coumarins and derivatives
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Pyranocoumarins
Intermediate Tree Nodes
Not available
Direct Parent
Angular pyranocoumarins
Alternative Parents
Pyranochromenes 2,2-dimethyl-1-benzopyrans Dialkylarylamines Aniline and substituted anilines Secondary alkylarylamines Pyranones and derivatives Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Lactones Cyclic ketones Oxacyclic compounds Enamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular pyranocoumarin - Pyranochromene - 2,2-dimethyl-1-benzopyran - Chromane - Benzopyran - 1-benzopyran - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Pyranone - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Tertiary amine - Lactone - Ketone - Secondary amine - Organoheterocyclic compound - Oxacycle - Enamine - Ether - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as angular pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety.
External Descriptors
Not available