Compound Identification
SMILES
COC(=O)C1=CC(OC2CCOC3=C(C=C(OC4=NC5=CC=CC=C5C=C4)C=C3)C2O)=CC=C1
InChIKey
InChIKey=VXCWOMDRYVSFJR-UHFFFAOYSA-N
Formula
C27H23NO6
Mass
457.482
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxepines
Alternative Parents
Quinolones and derivatives Diarylethers Benzoic acid esters Benzoyl derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers Pyridines and derivatives Methyl esters Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Diaryl ether - Quinolone - Benzoate ester - Quinoline - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Pyridine - Benzenoid - Monocyclic benzene moiety - Methyl ester - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Oxacycle - Azacycle - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).
External Descriptors
Not available