Compound Identification
SMILES
OC1CCCC(=O)C2=CC(OC3=CC=C(CC1)C=C3)=C(O)C=C2
InChIKey
InChIKey=CEXYRWKADWHPNI-UHFFFAOYSA-N
Formula
C19H20O4
Mass
312.365
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Diarylheptanoids
- Subclass Cyclic diarylheptanoids
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Class
Diarylheptanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Diarylheptanoids
Subclass
Cyclic diarylheptanoids
Intermediate Tree Nodes
Not available
Direct Parent
Meta,para-diphenylether diarylheptanoids
Alternative Parents
Lignans, neolignans and related compounds Diarylethers Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Meta,para-diphenylether diarylheptanoid - Oxyneolignan skeleton - Diaryl ether - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Ketone - Secondary alcohol - Ether - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Alcohol - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as meta,para-diphenylether diarylheptanoids. These are cyclic diarylheptanoids where the two benzene rings are linked to each other by an ether group conjugated to the 3-position of one benzene ring and the 4-position of the other ring.
External Descriptors
Not available