Compound Identification
SMILES
COC1=C(O)C=C2CCC(=O)C=C(CCC3=CC=C(O)C(=C3)C1=C2)OC
InChIKey
InChIKey=ZRXSYFITKRMPDZ-UHFFFAOYSA-N
Formula
C21H22O5
Mass
354.402
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Diarylheptanoids
-
Subclass
Cyclic diarylheptanoids
- Level 5 Meta,meta-bridged biphenyls
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Subclass
Cyclic diarylheptanoids
-
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,meta-bridged biphenyls
Alternative Parents
Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous esters Cyclic ketones Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Meta,meta-bridged biphenyl - Anisole - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Vinylogous ester - Ketone - Cyclic ketone - Ether - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as meta,meta-bridged biphenyls. These are cyclic diarylheptanoids where the two aryl groups are linked to each other by an ether group conjugated to their 3-position.
External Descriptors
Not available