Compound Identification
SMILES
COC1=CC(C[C@@]2(O)CO[C@@H]([C@H]2CO)C2=CC(OC)=C(OC(=O)CO)C=C2)=CC=C1OC(=O)CO
InChIKey
InChIKey=MKAMUGOPJNPOMW-GRFCFPJTSA-N
Formula
C24H28O11
Mass
492.477
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
-
Class
Furanoid lignans
-
Subclass
Tetrahydrofuran lignans
- Level 5 7,9'-epoxylignans
-
Subclass
Tetrahydrofuran lignans
-
Class
Furanoid lignans
-
Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Furanoid lignans
Subclass
Tetrahydrofuran lignans
Intermediate Tree Nodes
Not available
Direct Parent
7,9'-epoxylignans
Alternative Parents
Phenol esters Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Dicarboxylic acids and derivatives Tetrahydrofurans Tertiary alcohols Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
7,9p-epoxylignan - Phenol ester - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Tetrahydrofuran - Tertiary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Organoheterocyclic compound - Ether - Organic oxygen compound - Alcohol - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Primary alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 7,9'-epoxylignans. These are lignans that contain the 7,9'-epoxylignan skeleton, which consists of a tetrahydrofuran that carries a phenyl group, a methyl group, and a benzyl group at the 2-, 3-, 4-position, respectively.
External Descriptors
Not available