Compound Identification
SMILES
COC1=C(NC(=O)CN(C)CC2=CC(=O)OC3=C2C=CC(O)=C3)C=C(Cl)C=C1
InChIKey
InChIKey=SRNDVPVBFFIUME-UHFFFAOYSA-N
Formula
C20H19ClN2O5
Mass
402.83
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Coumarins and derivatives
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Subclass
Hydroxycoumarins
- Level 5 7-hydroxycoumarins
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Subclass
Hydroxycoumarins
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Class
Coumarins and derivatives
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Hydroxycoumarins
Intermediate Tree Nodes
Not available
Direct Parent
7-hydroxycoumarins
Alternative Parents
Alpha amino acid amides 1-benzopyrans Anilides Methoxyanilines Phenoxy compounds Anisoles N-arylamides Methoxybenzenes Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Alkyl aryl ethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Trialkylamines Lactones Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - Anilide - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - N-arylamide - Methoxybenzene - Aralkylamine - Alkyl aryl ether - Chlorobenzene - Halobenzene - Phenol - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Pyran - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Lactone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Ether - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.
External Descriptors
Not available