Compound Identification
SMILES
NC1=NC(NCCCCCO)=C\C(N1)=C1/C=C(C=CC1=O)C1=CC=C(O)C=C1
InChIKey
InChIKey=DHUGUMOBDQCCFQ-ZCXUNETKSA-N
Formula
C21H24N4O3
Mass
380.448
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
-
Level 7
Quinomethanes
- Level 8 O-quinomethanes
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Level 7
Quinomethanes
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones - Quinomethanes
Direct Parent
O-quinomethanes
Alternative Parents
1-hydroxy-2-unsubstituted benzenoids Hydropyrimidines Benzene and substituted derivatives Vinylogous amides Ketene acetals Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Alkanolamines Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Hydropyrimidine - 1,6-dihydropyrimidine - Benzenoid - Vinylogous amide - Guanidine - Ketene acetal or derivatives - Alkanolamine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Alcohol - Hydrocarbon derivative - Amine - Organonitrogen compound - Organic nitrogen compound - Primary alcohol - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.
External Descriptors
Not available