Compound Identification
SMILES
CCOC(=O)CCC1(C)OC2=C(C=CC(O)=C2)C(=C1)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=PGTCINVGEATNJT-UHFFFAOYSA-N
Formula
C21H21NO6
Mass
383.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavenes
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Class
Neoflavonoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Neoflavenes
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavenes
Alternative Parents
1-benzopyrans Nitrobenzenes Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Fatty acid esters Carboxylic acid esters Organic oxoazanium compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic salts Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavene - Benzopyran - 1-benzopyran - Nitrobenzene - Nitroaromatic compound - Alkyl aryl ether - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organoheterocyclic compound - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic zwitterion - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavenes. These are neoflavonoids with a structure based on a 4-phenylchromene skeleton.
External Descriptors
Not available