Structure Information
Structure

Compound Identification

SMILES

CC1(C)NC2=CC3=C(C=C2C(CSOOO)=C1)C(C1=C(C=C(C=C1)C(=O)ON1C(=O)CCC1=O)C(O)=O)=C1C=C2C(CS([O-])(=O)=O)=CC(C)(C)[NH+]=C2C=C1O3

InChIKey

InChIKey=AGDXFTAGJULYLN-UHFFFAOYSA-N

Formula

C37H33N3O13S2

Mass

791.8

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Neoflavonoids

Subclass

Prenylated neoflavonoids

Intermediate Tree Nodes

Not available

Direct Parent

Prenylated neoflavonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Prenylated neoflavonoid - Dibenzopyran - Xanthene - Meta_phthalic_acid - Diaryl ether - Dihydroquinolone - Benzopyran - Dihydroquinoline - 1-benzopyran - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Alkanesulfonic acid - Dicarboximide - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Amino acid - Lactam - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Oxacycle - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Ether - Secondary amine - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic salt - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as prenylated neoflavonoids. These are neoflavonoids that features a C5-isoprenoid substituent at any position of the A, B, or C ring. Neoflavonoids are compounds with a structure based on the 4-phenylchromene backbone.

External Descriptors

Not available

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