Compound Identification
SMILES
COC1(CCOCC1)C1=CC(COC2=CC3=C(C=C2)C(CC(=O)O3)C2=CC=CC=C2)=CC=C1
InChIKey
InChIKey=OJGUEGNTDALQNU-UHFFFAOYSA-N
Formula
C28H28O5
Mass
444.527
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavans
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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 Benzylethers Phenol ethers Alkyl aryl ethers Oxanes Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavan - 3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Benzylether - Phenol ether - Alkyl aryl ether - Benzenoid - Oxane - Monocyclic benzene moiety - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Dialkyl ether - Ether - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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