Compound Identification
SMILES
COC1=C(C=C(O)C=C1)C1=C(OC)C(=O)C2=C(OC)C=C3O[C@@H](CO)[C@@H](OC3=C2O1)C1=C(OC)C(OC)=C(O)C=C1
InChIKey
InChIKey=DVLWVYIZRZIYQB-REWPJTCUSA-N
Formula
C29H28O12
Mass
568.531
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-O-methylated flavonoids 3-O-methylated flavonoids 2'-O-methylated flavonoids Flavones Monohydroxyflavonoids 3'-hydroxyflavonoids Phenylbenzo-1,4-dioxanes 3-methoxychromones Methoxyphenols Dimethoxybenzenes Benzo-1,4-dioxanes 4-alkoxyphenols Anisoles Phenoxy compounds Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Para dioxins Vinylogous esters Heteroaromatic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonolignan - 2p-methoxyflavonoid-skeleton - 3-methoxyflavonoid-skeleton - 5-methoxyflavonoid-skeleton - 3'-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Monohydroxyflavonoid - 2-phenylbenzo-1,4-dioxane - Phenylbenzodioxane - 3-methoxychromone - Chromone - Benzo-1,4-dioxane - Benzodioxane - Benzopyran - Methoxyphenol - O-dimethoxybenzene - Dimethoxybenzene - 1-benzopyran - 4-alkoxyphenol - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Pyranone - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Para-dioxin - Benzenoid - Pyran - Vinylogous ester - Heteroaromatic compound - Organoheterocyclic compound - Ether - Oxacycle - Alcohol - Primary alcohol - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - 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
LIPIDMAPS (LMPK12113066) : Flavones and Flavonols