Compound Identification
SMILES
CC1(C)CN(CCCS([O-])(=O)=O)C2=C1C1=C(C=C3C(O1)=C1C(C4=CC=CC=C34)=[N+](CC3=CC=C(C=C3)C(O)=O)CC1(C)C)C1=CC3=CC=CC=C3C=C21
InChIKey
InChIKey=ODETWQXCRMSMDI-UHFFFAOYSA-N
Formula
C44H40N2O6S
Mass
724.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavonoids
Alternative Parents
Xanthenes Naphthopyrans Anthracenes Diarylethers Benzoic acids Indoles and derivatives Benzoyl derivatives Dialkylarylamines Aralkylamines Pyrans Organosulfonic acids Sulfonyls Alkanesulfonic acids Amino acids Oxacyclic compounds Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavonoid - Anthracene - Xanthene - Naphthopyran - Dibenzopyran - Diaryl ether - 1-benzopyran - Benzopyran - Indole or derivatives - Benzoic acid - Benzoic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Benzoyl - Aralkylamine - Pyran - Benzenoid - Monocyclic benzene moiety - Alkanesulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Amino acid or derivatives - Tertiary amine - Amino acid - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organic salt - Organic zwitterion - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavonoids. These are natural products derived from 3-phenylchromen-4-one.
External Descriptors
Not available