Compound Identification
SMILES
COC1=C(OC2C=C(CC(C2O)N(CC2=CC=CC=C2)C(=O)C2=CC3=CC=CC=C3OC2=O)C(=O)NCCO)C(I)=CC(C=O)=C1
InChIKey
InChIKey=HAGYRNOWMYKGLZ-UHFFFAOYSA-N
Formula
C34H31IN2O9
Mass
738.531
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans Anisoles Benzaldehydes Benzoyl derivatives Methoxybenzenes N-acylethanolamines Phenoxy compounds Alkyl aryl ethers Iodobenzenes Pyranones and derivatives Aryl iodides Heteroaromatic compounds Tertiary carboxylic acid amides Lactones Secondary alcohols Secondary carboxylic acid amides Oxacyclic compounds Organopnictogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Anisole - Benzaldehyde - Benzoyl - Phenoxy compound - N-acylethanolamine - Phenol ether - Methoxybenzene - Aryl-aldehyde - Alkyl aryl ether - Halobenzene - Pyranone - Iodobenzene - Benzenoid - Pyran - Aryl halide - Monocyclic benzene moiety - Aryl iodide - Heteroaromatic compound - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - Lactone - Carboxamide group - Oxacycle - Ether - Carboxylic acid derivative - Alkanolamine - Organoheterocyclic compound - Organopnictogen compound - Alcohol - Carbonyl group - Organohalogen compound - Organic nitrogen compound - Organoiodide - Aldehyde - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available