Compound Identification
SMILES
O[C@@H]([C@H]([C@H](NC1=CC=CC=N1)C1=CC=CC=C1NC(=O)COC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=CC=CC=N1)C1=CC=CC=C1
InChIKey
InChIKey=OTWZYMSDNGDKLP-BBYMZNSUSA-N
Formula
C33H34N4O9
Mass
630.654
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Linear 1,3-diarylpropanoids
Alternative Parents
O-glucuronides O-glycosyl compounds Anilides N-arylamides Secondary alkylarylamines Aminopyridines and derivatives Beta hydroxy acids and derivatives Pyrans Oxanes Monosaccharides Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Acetals Polyols Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Aromatic alcohols Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Linear 1,3-diarylpropanoid - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Anilide - N-arylamide - Aminopyridine - Beta-hydroxy acid - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Hydroxy acid - Monosaccharide - Oxane - Pyran - Pyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Acetal - Organoheterocyclic compound - Polyol - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Organopnictogen compound - Aromatic alcohol - Carbonyl group - Organic oxide - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
External Descriptors
Not available