Compound Identification
SMILES
O[C@@H]1C2=C(O[C@H](C3=CC=CC=C3)[C@@]1(Cl)[N+]([O-])=O)C=CC(=C2)[N+]([O-])=O
InChIKey
InChIKey=IIBNEOSPPDMUFU-KFWWJZLASA-N
Formula
C15H11ClN2O6
Mass
350.71
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 Nitroaromatic compounds Alkyl aryl ethers Benzene and substituted derivatives Secondary alcohols Chlorohydrins 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 - Hydroxyflavonoid - Flavan-4-ol - Chromane - Benzopyran - 1-benzopyran - Nitroaromatic compound - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Halohydrin - Secondary alcohol - Chlorohydrin - Allyl-type 1,3-dipolar organic compound - Ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl chloride - Organic oxygen compound - Alcohol - 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