Compound Identification
SMILES
CCOC(=O)C(=CC1=CC2=CC=CC=C2OC1C1=CC=CC=C1)C#N
InChIKey
InChIKey=SECSIGLDGGUHEA-UHFFFAOYSA-N
Formula
C21H17NO3
Mass
331.371
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flav-3-enes
- Level 5 3-prenylated flav-3-enes
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Subclass
Flav-3-enes
-
Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flav-3-enes
Intermediate Tree Nodes
Not available
Direct Parent
3-prenylated flav-3-enes
Alternative Parents
1-benzopyrans Fatty acid esters Alkyl aryl ethers Benzene and substituted derivatives Enoate esters Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-prenylated flav-3-ene - Benzopyran - 1-benzopyran - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-prenylated flav-3-enes. These are flav3-enes that features a C5-isoprenoid substituent at the 3-position.
External Descriptors
Not available