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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Neoflavonoids
- Subclass Prenylated neoflavonoids
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Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Prenylated neoflavonoids
Intermediate Tree Nodes
Not available
Direct Parent
Prenylated neoflavonoids
Alternative Parents
Xanthenes M-phthalic acid and derivatives Diarylethers Hydroquinolones Hydroquinolines Benzoic acids Benzoyl derivatives Secondary alkylarylamines Pyrrolidine-2-ones Sulfonyls Alkanesulfonic acids Organosulfonic acids Dicarboximides Amino acids Lactams Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Organic salts Carbonyl compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
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