Compound Identification
SMILES
CCCCOC1=CC=C(CO\N=C\C(CO)NC(=O)C2=CC(OC)=C3OCOC3=C2C2=C3OCOC3=C(OC)C=C2C(=O)OCC)C=C1
InChIKey
InChIKey=IXGBRFJHJJRPGG-PTEHHBOZSA-N
Formula
C34H38N2O12
Mass
666.68
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Tannins
- Subclass Hydrolyzable tannins
-
Class
Tannins
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Tannins
Subclass
Hydrolyzable tannins
Intermediate Tree Nodes
Not available
Direct Parent
Hydrolyzable tannins
Alternative Parents
Gallic acid and derivatives M-methoxybenzoic acids and derivatives Benzodioxoles Anisoles Phenoxy compounds Alkyl aryl ethers Secondary carboxylic acid amides Oxime ethers Carboxylic acid esters Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Hydrocarbon derivatives Primary alcohols Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - Benzodioxole - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Oxime ether - Acetal - Carboxylic acid derivative - Oxacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organopnictogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.
External Descriptors
Not available