Compound Identification
SMILES
OC1COC2(O)C1OC(=O)C2(O)CC1=CNC2=CC=CC=C12
InChIKey
InChIKey=OMSJCIOTCFHSIT-UHFFFAOYSA-N
Formula
C15H15NO6
Mass
305.286
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Furofurans
- Subclass Isosorbides
-
Class
Furofurans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Furofurans
Subclass
Isosorbides
Intermediate Tree Nodes
Not available
Direct Parent
Isosorbides
Alternative Parents
3-alkylindoles Benzenoids Gamma butyrolactones Monosaccharides Substituted pyrroles Tetrahydrofurans Heteroaromatic compounds Tertiary alcohols Hemiacetals Carboxylic acid esters Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Polyols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isosorbide - 3-alkylindole - Indole - Indole or derivatives - Gamma butyrolactone - Monosaccharide - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Tetrahydrofuran - Tertiary alcohol - Pyrrole - Carboxylic acid ester - Hemiacetal - Secondary alcohol - Lactone - Carboxylic acid derivative - Oxacycle - Azacycle - Polyol - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isosorbides. These are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings.
External Descriptors
META CYC (CPDQT-426) : an indole-phytolexin