Compound Identification
SMILES
COC1=CC(=O)[C@@H](CC=C)[C@@H]2O[C@@H]([C@@H](C)[C@]12OC)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=COELSLLVNMRXHB-KYIFXELVSA-N
Formula
C21H24O6
Mass
372.417
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Benzofurans Cyclohexenones Benzenoids Vinylogous esters Tetrahydrofurans Oxacyclic compounds Dialkyl ethers Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Benzofuran - Cyclohexenone - Benzenoid - Tetrahydrofuran - Vinylogous ester - Ketone - Cyclic ketone - Acetal - Dialkyl ether - Ether - Oxacycle - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
CHEBI:4976 :
benzodioxoles
KEGG (C10563) :
Neolignans