Compound Identification
SMILES
COC1=C2OC3=C(OC(=O)C4=CC=C(Br)C=C4)C=CC(CCC(=O)CCCCC(C=C2)=C1O)=C3
InChIKey
InChIKey=GAVXIWPUUIUVGN-UHFFFAOYSA-N
Formula
C27H25BrO6
Mass
525.395
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Diarylheptanoids
- 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,para-diphenylether diarylheptanoids
Alternative Parents
Lignans, neolignans and related compounds Diarylethers Phenol esters 4-halobenzoic acids and derivatives Benzoic acid esters Anisoles Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 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 - Benzoyl - Anisole - Phenol ether - Alkyl aryl ether - Bromobenzene - 1-hydroxy-4-unsubstituted benzenoid - Halobenzene - Phenol - Aryl halide - Aryl bromide - Benzenoid - Monocyclic benzene moiety - Ketone - Cyclic ketone - Carboxylic acid ester - Ether - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organic oxygen compound - Carbonyl group - Organooxygen 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