Compound Identification
SMILES
COC1=C2OC3=C(OC(=O)C4=CC=C(Br)C=C4)C=CC(CCC(=O)CCCCC(C=C2)=C1)=C3
InChIKey
InChIKey=CPLJCLBRRIDLPO-UHFFFAOYSA-N
Formula
C27H25BrO5
Mass
509.396
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 Phenol esters 4-halobenzoic acids and derivatives Benzoic acid esters Anisoles Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Cyclic ketones Carboxylic acid esters Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Meta,para-diphenylether diarylheptanoid - Oxyneolignan skeleton - Diaryl ether - Benzoate ester - Phenol ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Anisole - Benzoyl - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Cyclic ketone - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Ether - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - 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