Compound Identification
SMILES
C[C@H]1O[C@H](C[C@H]([C@@H]1O)N(C)C)C1=C(O)C2=C(C=C1)C(=O)C1=C([C@@H](C)O[C@H](CC(O)=O)[C@@H]1SC[C@H](N)C(O)=O)C2=O
InChIKey
InChIKey=YIYUYOGSFSLUIM-GWPZBZDCSA-N
Formula
C27H34N2O10S
Mass
578.63
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Isochromanequinones
- Subclass Benzoisochromanequinones
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Class
Isochromanequinones
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isochromanequinones
Subclass
Benzoisochromanequinones
Intermediate Tree Nodes
Not available
Direct Parent
Benzoisochromanequinones
Alternative Parents
Naphthopyranones L-cysteine-S-conjugates Naphthoquinones L-alpha-amino acids Aryl ketones Quinones Hydroxy fatty acids Thia fatty acids Aralkylamines 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Dicarboxylic acids and derivatives Oxanes Vinylogous acids 1,2-aminoalcohols Secondary alcohols Amino acids Trialkylamines Sulfenyl compounds Oxacyclic compounds Carboxylic acids Dialkylthioethers Dialkyl ethers Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoisochromanequinone - Naphthopyranone - Naphthopyran - L-cysteine-s-conjugate - Naphthoquinone - Cysteine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Naphthalene - L-alpha-amino acid - Quinone - Aryl ketone - Hydroxy fatty acid - 1-hydroxy-4-unsubstituted benzenoid - Aralkylamine - Thia fatty acid - Phenol - Pyranone - Dicarboxylic acid or derivatives - Benzenoid - Fatty acyl - Oxane - Pyran - Vinylogous acid - 1,2-aminoalcohol - Secondary alcohol - Amino acid - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Ketone - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Organoheterocyclic compound - Ether - Dialkylthioether - Sulfenyl compound - Thioether - Amine - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoisochromanequinones. These are benzo derivatives of isochromanequinones. Isochromanequinones are structurally characterized by a quinone fused to an isochromane, and forming a naphtho[2,3-c]pyran-6,9-dione skeleton.
External Descriptors
Not available