Compound Identification
SMILES
CC1(C)OC2=C(C3=C(C=CC(=O)O3)C=C2)C(=CNC2=CC=CC=C2)C1=O
InChIKey
InChIKey=CJEQLVHKYYCCMD-UHFFFAOYSA-N
Formula
C21H17NO4
Mass
347.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
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
-
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 Aniline and substituted anilines 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 - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactone - Ketone - Cyclic ketone - Enamine - Ether - Oxacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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