Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(=C1)[C@@H]1[C@H](OC2=C1C(=O)OC1=CC=CC=C21)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=QWJDPNRUKYAWKG-CVDCTZTESA-N
Formula
C24H15NO6
Mass
413.385
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Coumarins and derivatives
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Subclass
Furanocoumarins
- Level 5 Angular furanocoumarins
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Subclass
Furanocoumarins
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Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Furanocoumarins
Intermediate Tree Nodes
Not available
Direct Parent
Angular furanocoumarins
Alternative Parents
Alkyl-phenylketones 1-benzopyrans Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Vinylogous esters Lactones Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular furanocoumarin - Alkyl-phenylketone - 1-benzopyran - Benzopyran - Nitrobenzene - Phenylketone - Aryl ketone - Aryl alkyl ketone - Nitroaromatic compound - Benzoyl - Pyranone - Alkyl aryl ether - Pyran - Benzenoid - Monocyclic benzene moiety - Vinylogous ester - Heteroaromatic compound - Ketone - Lactone - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Organic oxoazanium - Ether - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as angular furanocoumarins. These are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin.
External Descriptors
Not available