Compound Identification
SMILES
CC1(C)CN(CCCCCC(O)=O)C2=C1C1=C(C=C3C(O1)=C1C(C4=C3C=CC(=C4)S(O)(=O)=O)=[N+](CCCS(O)(=O)=O)CC1(C)C)C1=C2C=C(C=C1)S(O)(=O)=O
InChIKey
InChIKey=YGSXVZDEPRWNQB-UHFFFAOYSA-O
Formula
C38H43N2O12S3
Mass
815.94
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 2-naphthalene sulfonates 2-naphthalene sulfonic acids and derivatives Naphthopyrans Diarylethers 1-sulfo,2-unsubstituted aromatic compounds Indoles and derivatives Dialkylarylamines Medium-chain fatty acids Amino fatty acids Aralkylamines Heterocyclic fatty acids Pyrans Organosulfonic acids Sulfonyls Alkanesulfonic acids Amino acids Oxacyclic compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavonoid - Xanthene - Naphthalene sulfonate - Dibenzopyran - Naphthopyran - 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Diaryl ether - Benzopyran - 1-benzopyran - Naphthalene - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Indole or derivatives - Medium-chain fatty acid - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Amino fatty acid - Heterocyclic fatty acid - Aralkylamine - Fatty acid - Fatty acyl - Pyran - Benzenoid - Alkanesulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Amino acid or derivatives - Tertiary amine - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organosulfur compound - Organic cation - 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