Compound Identification
SMILES
COC1=C(O)C=CC(=C1)C1OC2=C(OC1COC(=O)C1=CC3=C(OCO3)C=C1)C=CC(=C2)[C@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@@H]1O
InChIKey
InChIKey=SAMZKQZXZZDYDL-RBIPZIAJSA-N
Formula
C33H26O13
Mass
630.558
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
5-hydroxyflavonoids 7-hydroxyflavonoids 3-hydroxyflavonoids Flavanonols Phenylbenzo-1,4-dioxanes Chromones Benzo-1,4-dioxanes Methoxyphenols Benzodioxoles Phenoxy compounds Anisoles Aryl alkyl ketones Methoxybenzenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Para dioxins Vinylogous acids Secondary alcohols Carboxylic acid esters Oxacyclic compounds Polyols Monocarboxylic acids and derivatives Acetals Aldehydes Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonolignan - Hydroxyflavonoid - 3-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavanonol - Flavanone - Flavan - 2-phenylbenzo-1,4-dioxane - Phenylbenzodioxane - Chromone - Methoxyphenol - Benzopyran - Benzo-1,4-dioxane - Chromane - 1-benzopyran - Benzodioxane - Benzodioxole - Phenol ether - Anisole - Aryl alkyl ketone - Phenoxy compound - Methoxybenzene - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Para-dioxin - Vinylogous acid - Ketone - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Polyol - Ether - Acetal - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Aldehyde - Alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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