Compound Identification
SMILES
[Ca++].[O-]C(=O)C1=CC=CC=C1.[O-]C(=O)C(=CC1=CC=CC=C1)C(=CC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=YVFZWQNSTMJGKP-UHFFFAOYSA-L
Formula
C32H24CaO6
Mass
544.616
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Not available
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Lignans, neolignans and related compounds
Alternative Parents
Cinnamic acids Cinnamic acid esters Benzyloxycarbonyls Benzoic acids Benzoyl derivatives Fatty acid esters Dicarboxylic acids and derivatives Enoate esters Carboxylic acid salts Organic calcium salts Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Not available
Substituents
Norlignan skeleton - Cinnamic acid - Cinnamic acid or derivatives - Cinnamic acid ester - Benzyloxycarbonyl - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Dicarboxylic acid or derivatives - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid salt - Carboxylic acid ester - Organic calcium salt - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed.
External Descriptors
Not available