Compound Identification
SMILES
COC1=C(OC)C2=CC(CCCCC(O)CCC3=CC(Br)=C(O)C2=C3)=C1O
InChIKey
InChIKey=JSWPRTWZOZPJPU-UHFFFAOYSA-N
Formula
C21H25BrO5
Mass
437.33
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
O-bromophenols Anisoles Alkyl aryl ethers Aryl bromides Secondary alcohols Polyols Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Meta,meta-bridged biphenyl - Anisole - Phenol ether - 2-halophenol - 2-bromophenol - Alkyl aryl ether - Phenol - Benzenoid - Aryl bromide - Aryl halide - Secondary alcohol - Ether - Polyol - Organobromide - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organohalogen 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