Compound Identification
SMILES
CC(C)(C)C12OOC1(OCC2(C)C)C1=CC(=O)\C(C=C1)=C1/NC(C)(C)CO1
InChIKey
InChIKey=NWGWWFFJRYPDPC-JQIJEIRASA-N
Formula
C21H29NO5
Mass
375.465
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
Vinylogous esters Vinylogous amides Oxolanes Oxazolidines Ketene acetals Dioxetanes Dialkyl peroxides Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Amines
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
O-quinomethane - Oxazolidine - Oxolane - Vinylogous amide - Vinylogous ester - Dialkyl peroxide - Ketene acetal or derivatives - 1,2-dioxetane - Organoheterocyclic compound - Azacycle - Oxacycle - Amine - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteropolycyclic 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