Compound Identification
SMILES
COC1=NC(NCCC2CCNC2)=NC(OC)=C1NC(=O)C1=CC=C(CC2=C(C)C=C3C(=C2)C(C)(C)OC3(C)C)O1
InChIKey
InChIKey=MOUAEIGSMSTHLV-UHFFFAOYSA-N
Formula
C31H41N5O5
Mass
563.699
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Isocoumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isocoumarans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isocoumarans
Alternative Parents
Furoic acid and derivatives 2-heteroaryl carboxamides Aminopyrimidines and derivatives Alkyl aryl ethers Benzenoids Pyrrolidines Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumaran - 2-heteroaryl carboxamide - Furoic acid or derivatives - Alkyl aryl ether - Aminopyrimidine - Pyrimidine - Benzenoid - Heteroaromatic compound - Furan - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Ether - Oxacycle - Azacycle - Secondary amine - Amine - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocoumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 1,3-dihydrofuran ring.
External Descriptors
Not available