Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)C1C(C(C)=O)C(=O)OC2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=CEVCUUKJLCNBFF-UHFFFAOYSA-N
Formula
C21H20O8
Mass
400.383
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavans
-
Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Neoflavans
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavans
Alternative Parents
3,4-dihydrocoumarins 1-benzopyrans Benzodioxoles Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1,3-dicarbonyl compounds Lactones Ketones Carboxylic acid esters Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Aldehydes Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavan - 3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Benzodioxole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Lactone - Ketone - Carboxylic acid ester - Ether - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aldehyde - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavans. These are neoflavonoids with a structure based on a 3,4-dihydro-4-aryl-2H-1-benzopyran skeleton.
External Descriptors
Not available