Compound Identification
SMILES
O=C(CC1(C(=O)OC2=CC=CC=C12)C1=CC=CC=C1)N1CCN(CC2=CC3=C(OCO3)C=C2)CC1
InChIKey
InChIKey=XNIFFRFEKJQGBJ-UHFFFAOYSA-N
Formula
C28H26N2O5
Mass
470.525
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Coumarans
- Subclass 1-phenylcoumarans
-
Class
Coumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Coumarans
Subclass
1-phenylcoumarans
Intermediate Tree Nodes
Not available
Direct Parent
1-phenylcoumarans
Alternative Parents
Benzofurans Benzodioxoles N-alkylpiperazines Aralkylamines Benzene and substituted derivatives Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Lactones Carboxylic acid esters Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylcoumaran - Benzofuran - Benzodioxole - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Benzenoid - Piperazine - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Lactone - Amino acid or derivatives - Acetal - Oxacycle - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-phenylcoumarans. These are compounds containing a coumaran ring system substituted at the 1-position with phenyl group.
External Descriptors
Not available