Compound Identification
SMILES
CC(=O)OC(C)(C)C1CC2=CC3=C(OC(=O)C(C3N)C(C)(C)C=C)C=C2O1
InChIKey
InChIKey=VZNJEZDTZTVLJF-UHFFFAOYSA-N
Formula
C21H27NO5
Mass
373.449
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Furanocoumarins
- Level 5 Linear furanocoumarins
-
Subclass
Furanocoumarins
-
Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Furanocoumarins
Intermediate Tree Nodes
Not available
Direct Parent
Linear furanocoumarins
Alternative Parents
3,4-dihydrocoumarins 1-benzopyrans Coumarans Alkyl aryl ethers Aralkylamines Dicarboxylic acids and derivatives Benzenoids Carboxylic acid esters Amino acids and derivatives Lactones Oxacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organopnictogen compounds Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear furanocoumarin - 3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Coumaran - Alkyl aryl ether - Aralkylamine - Dicarboxylic acid or derivatives - Benzenoid - Lactone - Amino acid or derivatives - Carboxylic acid ester - Oxacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as linear furanocoumarins. These are furanocoumarins, with a structure characterized by a furan ring linearly fused to a coumarin.
External Descriptors
Not available