Compound Identification
SMILES
COC1=C(O)C=CC(=C1)C1OC2=C(OC1CO)C=C(C=C2)C1OC2=CC=CC=C2C(=O)C1O
InChIKey
InChIKey=HCYXSIIAFQOQEA-UHFFFAOYSA-N
Formula
C25H22O8
Mass
450.443
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
- Class Flavonolignans
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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
3-hydroxyflavonoids Flavanonols Phenylbenzo-1,4-dioxanes Chromones Benzo-1,4-dioxanes Methoxyphenols Anisoles Aryl alkyl ketones Phenoxy compounds Methoxybenzenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Para dioxins Secondary alcohols Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonolignan - Hydroxyflavonoid - 3-hydroxyflavonoid - Flavanonol - Flavanone - Flavan - 2-phenylbenzo-1,4-dioxane - Phenylbenzodioxane - Chromone - Methoxyphenol - Benzo-1,4-dioxane - Benzodioxane - Benzopyran - 1-benzopyran - Chromane - Methoxybenzene - Phenol ether - Aryl alkyl ketone - Phenoxy compound - Anisole - Aryl ketone - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Para-dioxin - Secondary alcohol - Ketone - Ether - Organoheterocyclic compound - Oxacycle - Primary alcohol - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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
Not available