Compound Identification
SMILES
CC1=CC2=C(C=C1)C(CCO2)C1=C(C=C(NC(=S)NC2=CC=C(C=C2)C2=NN(CCCC(O)=O)C(=N)C=C2)C=C1)C(O)=O
InChIKey
InChIKey=GTCJIMJWRAJQKQ-UHFFFAOYSA-N
Formula
C32H31N5O5S
Mass
597.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavans
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Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Neoflavans
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavans
Alternative Parents
Phenylpyridazines 1-benzopyrans N-phenylthioureas Benzoic acids Benzoyl derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Thioureas Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavan - Phenylpyridazine - N-phenylthiourea - Benzopyran - Chromane - 1-benzopyran - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Alkyl aryl ether - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyridazine - Heteroaromatic compound - Thiourea - Carboxylic acid - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Oxacycle - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavans. These are neoflavonoids with a structure based on a 3,4-dihydro-4-aryl-2H-1-benzopyran skeleton.
External Descriptors
Not available