Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)[C@H]1OC(=O)[C@@H]2[C@@H](OC(=O)[C@]12O)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=BGVVXSDCCRPXIG-LXGFNABISA-N
Formula
C21H18O9
Mass
414.366
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
- Class Lignan lactones
-
Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Lignan lactones
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Lignan lactones
Alternative Parents
Furofuran lignans Dimethoxybenzenes Benzodioxoles Phenoxy compounds Furofurans Anisoles Alkyl aryl ethers Gamma butyrolactones Dicarboxylic acids and derivatives Tertiary alcohols Oxolanes Carboxylic acid esters Oxacyclic compounds Acetals Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Lignan lactone - Furanoid lignan - Furofuran lignan skeleton - Dimethoxybenzene - O-dimethoxybenzene - Benzodioxole - Anisole - Methoxybenzene - Phenoxy compound - Furofuran - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Gamma butyrolactone - Tertiary alcohol - Oxolane - Lactone - Carboxylic acid ester - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Acetal - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as lignan lactones. These are lignans that contain a lactone moiety. They include 1-aryltetralin lactones, dibenzylbutyrolactone lignans, and podophyllotoxins, among others.
External Descriptors
Not available