Compound Identification
SMILES
CCOC(=O)CC(O)CC(O)\C=C\C1=C(C2=CC=C(F)C=C2)C2=CC=CC=C2OC11CCCC1
InChIKey
InChIKey=ZADJRRFMOOACHL-BUHFOSPRSA-N
Formula
C28H31FO5
Mass
466.549
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
1-benzopyrans Fluorobenzenes Fatty acid esters Beta hydroxy acids and derivatives Alkyl aryl ethers Aryl fluorides Secondary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavene - Benzopyran - 1-benzopyran - Alkyl aryl ether - Beta-hydroxy acid - Fatty acid ester - Fluorobenzene - Halobenzene - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Aryl fluoride - Hydroxy acid - Aryl halide - Secondary alcohol - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Alcohol - Organic oxygen compound - Organohalogen compound - Organooxygen compound - Organic oxide - Organofluoride - 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