Compound Identification
SMILES
O[C@H]1C2=C(O[C@@H](C3=CC=CC=C3C(=O)OCC3=CC=CC=C3)[C@]1(Cl)[N+]([O-])=O)C(CC=C)=CC=C2
InChIKey
InChIKey=PGGLXPOCYDYECA-KYPHJKQUSA-N
Formula
C26H22ClNO6
Mass
479.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavans
- Level 5 Flavan-4-ols
-
Subclass
Flavans
-
Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Not available
Direct Parent
Flavan-4-ols
Alternative Parents
4-hydroxyflavonoids 1-benzopyrans Benzoic acid esters Benzyloxycarbonyls Benzoyl derivatives Alkyl aryl ethers Secondary alcohols Chlorohydrins Carboxylic acid esters C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Alkyl chlorides Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-hydroxyflavonoid - Flavan-4-ol - Hydroxyflavonoid - Benzoate ester - Chromane - Benzopyran - Benzyloxycarbonyl - 1-benzopyran - Benzoic acid or derivatives - Benzoyl - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - Carboxylic acid ester - Chlorohydrin - Halohydrin - C-nitro compound - Secondary alcohol - Organic oxoazanium - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organochloride - Organonitrogen compound - Organic salt - Organooxygen compound - Organic nitrogen compound - Alcohol - Organic oxygen compound - Organic zwitterion - Organic oxide - Alkyl chloride - Hydrocarbon derivative - Alkyl halide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavan-4-ols. These are flavans that bear and hydroxyl group at position 4 (B ring), but not at the 3-position.
External Descriptors
Not available