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=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=JCMNOSCJYFSVTL-UHFFFAOYSA-O
Formula
C49H37Cl2N2O5
Mass
804.74
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 2-halobenzoic acids 3-halobenzoic acids Naphthalenes Halobenzoic acids Indoles and derivatives 1-carboxy-2-haloaromatic compounds Aniline and substituted anilines Benzoyl derivatives Dichlorobenzenes Aralkylamines Aryl chlorides Pyrans Vinylogous halides Amino acids Azacyclic compounds Oxacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavonoid - Dibenzopyran - Naphthopyran - Xanthene - Para_phthalic_acid - Alkyldiarylamine - Diaryl ether - 2,5-dichlorobenzoic acid - Naphthalene - Benzopyran - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid - 1-benzopyran - Indole or derivatives - Benzoic acid - Benzoic acid or derivatives - Aniline or substituted anilines - 1,4-dichlorobenzene - 1-carboxy-2-haloaromatic compound - Tertiary aliphatic/aromatic amine - Benzoyl - Chlorobenzene - Aralkylamine - Halobenzene - Monocyclic benzene moiety - Aryl chloride - Benzenoid - Aryl halide - Pyran - Vinylogous halide - Tertiary amine - Amino acid or derivatives - Amino acid - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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