Compound Identification
SMILES
CC(O)C(O)=O.COC1=C(OC)C2=C(C=CC(C)(C)O2)C(CC2=CN=C(N)N=C2N)=C1
InChIKey
InChIKey=QOORKSWQVMNIAH-UHFFFAOYSA-N
Formula
C21H28N4O6
Mass
432.477
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzopyrans
-
Subclass
1-benzopyrans
-
Level 5
2,2-dimethyl-1-benzopyrans
- Level 6 Precocenes
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Level 5
2,2-dimethyl-1-benzopyrans
-
Subclass
1-benzopyrans
-
Class
Benzopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
2,2-dimethyl-1-benzopyrans
Direct Parent
Precocenes
Alternative Parents
Anisoles Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Alpha hydroxy acids and derivatives Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Precocene - Phenol ether - Anisole - Aminopyrimidine - Alkyl aryl ether - Imidolactam - Benzenoid - Pyrimidine - Hydroxy acid - Alpha-hydroxy acid - Heteroaromatic compound - Secondary alcohol - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Alcohol - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as precocenes. These are aromatic heteropolycyclic compounds that contain a 2,2-dimethyl-1-benzopyran moiety, which carries a methoxy group at the ring 7-position.
External Descriptors
Not available