Compound Identification
SMILES
CC(C)=CCOC1=C(C)C(C)=C2OC(C)(COC3=C(Br)C=C(C=C3)C(O)C(C)(C)C(O)=O)CCC2=C1C
InChIKey
InChIKey=DFXDUPVYGZOUSR-UHFFFAOYSA-N
Formula
C30H39BrO6
Mass
575.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
1-benzopyrans Phenylpropanes Phenoxy compounds Phenol ethers Alkyl aryl ethers Beta hydroxy acids and derivatives Bromobenzenes Aryl bromides Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Benzopyran - 1-benzopyran - Chromane - Phenylpropane - Phenol ether - Phenoxy compound - Alkyl aryl ether - Halobenzene - Beta-hydroxy acid - Bromobenzene - Aryl halide - Aryl bromide - Hydroxy acid - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organobromide - Organooxygen compound - Aromatic alcohol - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available