Compound Identification
SMILES
CC1(C)CN(C2=C1C1=C(C3=CC=CC=C23)C(C2=C(Cl)C(=CC(Cl)=C2C(O)=O)C(O)=O)=C2C(O1)=C1C(C3=CC=CC=C23)=[N+](CC1(C)C)C1=CC=C(CCCCCC(O)=O)C=C1)C1=CC=C(C=C1)S(O)(=O)=O
InChIKey
InChIKey=FKLBTZKWIFQSLJ-UHFFFAOYSA-O
Formula
C55H47Cl2N2O10S
Mass
998.94
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 Naphthopyrans P-phthalic acid and derivatives Alkyldiarylamines Diarylethers Dichlorobenzoic acids Benzenesulfonic acids and derivatives Halobenzoic acids 2-halobenzoic acids 3-halobenzoic acids Naphthalenes Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Indoles and derivatives Benzoyl derivatives Aniline and substituted anilines Dichlorobenzenes 1-carboxy-2-haloaromatic compounds Medium-chain fatty acids Aralkylamines Halogenated fatty acids Heterocyclic fatty acids Pyrans Aryl chlorides Sulfonyls Vinylogous halides Organosulfonic acids Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavonoid - Xanthene - Naphthopyran - Dibenzopyran - Para_phthalic_acid - Alkyldiarylamine - 2,5-dichlorobenzoic acid - Diaryl ether - Benzopyran - Naphthalene - Benzenesulfonate - 1-benzopyran - Halobenzoic acid - 3-halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Indole or derivatives - Benzenesulfonyl group - Benzoic acid - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - 1,4-dichlorobenzene - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - 1-carboxy-2-haloaromatic compound - Medium-chain fatty acid - Chlorobenzene - Halobenzene - Halogenated fatty acid - Heterocyclic fatty acid - Aralkylamine - Aryl chloride - Fatty acyl - Fatty acid - Monocyclic benzene moiety - Benzenoid - Aryl halide - Pyran - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Vinylogous halide - Amino acid - Tertiary amine - Amino acid or derivatives - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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