Compound Identification
SMILES
CC1[C@@H]2C3=C(O[C@@H](C4=CC=CC=C4)[C@@]2(C(=N)C(C#N)=C1C1=CC=CC=C1)[N+]([O-])=O)C=CC(Cl)=C3
InChIKey
InChIKey=RSZZBQRCVGLUDB-KEWURELYSA-N
Formula
C27H20ClN3O3
Mass
469.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
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Subclass
Flavans
- Level 5 4-prenylated flavans
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Subclass
Flavans
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Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Not available
Direct Parent
4-prenylated flavans
Alternative Parents
3-prenylated flavans 1-benzopyrans Alkyl aryl ethers Aryl chlorides Benzene and substituted derivatives C-nitro compounds Ketimines Nitriles Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organochlorides Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-prenylated flavan - 4-prenylated flavan - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Ketimine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic oxoazanium - Oxacycle - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Imine - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Cyanide - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-prenylated flavans. These are flavans that features a C5-isoprenoid substituent at the 4-position.
External Descriptors
Not available