Compound Identification
SMILES
CCC1=CC=C(C=C1)C1=CC(C)(C)OC2=C1C=C(C=C2)C#CC1=CC=C(C=C1)C(O)=O
InChIKey
InChIKey=QMBNRKHXBRBKQD-UHFFFAOYSA-N
Formula
C28H24O3
Mass
408.497
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavenes
-
Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Neoflavenes
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavenes
Alternative Parents
2,2-dimethyl-1-benzopyrans Benzoic acids Benzoyl derivatives Alkyl aryl ethers Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavene - 2,2-dimethyl-1-benzopyran - Benzopyran - 1-benzopyran - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Organoheterocyclic compound - Ether - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organic oxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavenes. These are neoflavonoids with a structure based on a 4-phenylchromene skeleton.
External Descriptors
Not available