Compound Identification
SMILES
COC1=CC=C(NC(=O)[C@@H]2OC3=C([C@H]2C2=CC(OC)=C4OCOC4=C2OC)C(=O)OC2=CC=CC=C32)C=C1
InChIKey
InChIKey=PAUMESYSSDODCS-CJFMBICVSA-N
Formula
C28H23NO9
Mass
517.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Furanocoumarins
- Level 5 Angular 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
Angular furanocoumarins
Alternative Parents
1-benzopyrans Anilides Benzodioxoles Methoxyanilines N-arylamides Methoxybenzenes Anisoles Phenoxy compounds Alkyl aryl ethers Pyranones and derivatives Heteroaromatic compounds Vinylogous esters Lactones Secondary carboxylic acid amides Oxacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular furanocoumarin - Benzopyran - 1-benzopyran - Benzodioxole - Methoxyaniline - Anilide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Vinylogous ester - Heteroaromatic compound - Secondary carboxylic acid amide - Lactone - Carboxamide group - Oxacycle - Organoheterocyclic compound - Acetal - Ether - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as angular furanocoumarins. These are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin.
External Descriptors
Not available