Compound Identification
SMILES
NC(N)=NCC1=CC=C(NC(=S)NC2=CC(C(O)=O)=C(C=C2)C2C3C=CC(=O)C=C3OC3=C2C=CC(O)=C3)C=C1
InChIKey
InChIKey=LXSFGGAPWKZQET-UHFFFAOYSA-N
Formula
C29H25N5O5S
Mass
555.61
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
Xanthenes N-phenylthioureas Benzoic acids Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous esters Thioureas Guanidines Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboxylic acids Carboximidamides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavan - Xanthene - Dibenzopyran - N-phenylthiourea - 1-benzopyran - Benzopyran - Chromane - Benzoic acid or derivatives - Benzoic acid - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous ester - Guanidine - Cyclic ketone - Ketone - Thiourea - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen 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