Compound Identification
SMILES
COC1=C(O)C=CC(=C1)[C@H]1OC2=C(O[C@@H]1COC(=O)CCC(O)=O)C=CC(=C2)[C@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@@H]1OC(=O)CCC(O)=O
InChIKey
InChIKey=JXTPWYSSFFOISU-BMSWWXRLSA-N
Formula
C33H30O16
Mass
682.587
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
- Class Flavonolignans
-
Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Flavonolignans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Flavonolignans
Alternative Parents
Flavanonols 7-hydroxyflavonoids 5-hydroxyflavonoids Phenylbenzo-1,4-dioxanes Tetracarboxylic acids and derivatives Chromones Methoxyphenols Benzo-1,4-dioxanes Phenoxy compounds Methoxybenzenes Aryl alkyl ketones Anisoles Fatty acid esters Alpha-acyloxy ketones Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Para dioxins Vinylogous acids Carboxylic acid esters Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonolignan - Hydroxyflavonoid - Flavanonol - Flavanone - 7-hydroxyflavonoid - 5-hydroxyflavonoid - Phenylbenzodioxane - 2-phenylbenzo-1,4-dioxane - Flavan - Tetracarboxylic acid or derivatives - Chromone - 1-benzopyran - Methoxyphenol - Benzopyran - Chromane - Benzodioxane - Benzo-1,4-dioxane - Phenoxy compound - Methoxybenzene - Aryl alkyl ketone - Aryl ketone - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alpha-acyloxy ketone - Phenol - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Benzenoid - Para-dioxin - Monocyclic benzene moiety - Vinylogous acid - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavonolignans. These are non-conventional lignans that derived from flavonoids. They are characterized by a p-dioxin ring substituted at one carbon atom by a C3C6 (phenylpropan) group and fused to the B-ring of the 2-phenylchromene moiety.
External Descriptors
Not available