Compound Identification
SMILES
CC1(C)OC2=C(C=C(C=C2)C#CC2=CC(F)=C(C=C2)C(O)=O)C(=C1)C1=CC=CC=C1
InChIKey
InChIKey=HDZSGDGFXXUBED-UHFFFAOYSA-N
Formula
C26H19FO3
Mass
398.433
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavenes
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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 Halobenzoic acids 2-halobenzoic acids Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Fluorobenzenes Alkyl aryl ethers Aryl fluorides Vinylogous halides Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavene - 2,2-dimethyl-1-benzopyran - Benzopyran - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - 1-benzopyran - Halobenzoic acid - Benzoic acid or derivatives - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Halobenzene - Fluorobenzene - Alkyl aryl ether - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Vinylogous halide - Organoheterocyclic compound - Oxacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - 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